Product OPENEYE NAME: 1,3,7,9-tetratert-butyl-11-chloro-5-propyl-5H-benzo[d][1,3,2]benzodioxaphosphocine
CAS Name: 1,3,7,9-tetratert-butyl-11-chloro-5-propyl-5H-benzo[d][1,3,2]benzodioxaphosphocin
IUPAC NAME: 1,3,7,9-tetratert-butyl-11-chloro-5-propyl-5H-benzo[d][1,3,2]benzodioxaphosphocine
SYSTEMATIC NAME: 1,3,7,9-tetratert-butyl-11-chloranyl-5-propyl-5H-benzo[d][1,3,2]benzodioxaphosphocine
MOLECULAR FORMULA: C32H48ClO2P
MOLECULAR WEIGHT: 531.149081
SMILES: CCCC1C2=CC(=CC(=C2OP(OC3=C(C=C(C=C13)C(C)(C)C)C(C)(C)C)Cl)C(C)(C)C)C(C)(C)C
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Product OPENEYE NAME: 2,5-dimethylindazole-4,7-dione
CAS Name: 2,5-dimethylindazole-4,7-dione
IUPAC NAME: 2,5-dimethylindazole-4,7-dione
SYSTEMATIC NAME: 2,5-dimethylindazole-4,7-dione
MOLECULAR FORMULA: C9H8N2O2
MOLECULAR WEIGHT: 176.17202
SMILES: CC1=CC(=O)C2=NN(C=C2C1=O)C
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Product OPENEYE NAME: 1,5,6-trimethylindazole-4,7-dione
CAS Name: 1,5,6-trimethylindazole-4,7-dione
IUPAC NAME: 1,5,6-trimethylindazole-4,7-dione
SYSTEMATIC NAME: 1,5,6-trimethylindazole-4,7-dione
MOLECULAR FORMULA: C10H10N2O2
MOLECULAR WEIGHT: 190.1986
SMILES: CC1=C(C(=O)C2=C(C1=O)C=NN2C)C
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Product OPENEYE NAME: 2-[(E)-(5-methyl-3H-1,3,4-oxadiazol-2-ylidene)methyl]aniline
CAS Name: 2-[(E)-(5-methyl-3H-1,3,4-oxadiazol-2-ylidene)methyl]aniline
IUPAC NAME: 2-[(E)-(5-methyl-3H-1,3,4-oxadiazol-2-ylidene)methyl]aniline
SYSTEMATIC NAME: 2-[(E)-(5-methyl-3H-1,3,4-oxadiazol-2-ylidene)methyl]aniline
MOLECULAR FORMULA: C10H11N3O
MOLECULAR WEIGHT: 189.21384
SMILES: CC1=NN/C(=C\C2=CC=CC=C2N)/O1
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Product OPENEYE NAME: (3Z)-3-[ethoxy(hydroxy)methylene]-6-methyl-5-nitro-1H-pyridine-2,4-dione
CAS Name: (3Z)-3-[ethoxy(hydroxy)methylidene]-6-methyl-5-nitro-1H-pyridine-2,4-dione
IUPAC NAME: (3Z)-3-[ethoxy(hydroxy)methylidene]-6-methyl-5-nitro-1H-pyridine-2,4-dione
SYSTEMATIC NAME: (3Z)-3-[ethoxy(oxidanyl)methylidene]-6-methyl-5-nitro-1H-pyridine-2,4-dione
MOLECULAR FORMULA: C9H10N2O6
MOLECULAR WEIGHT: 242.1855
SMILES: CCO/C(=C\1/C(=O)C(=C(NC1=O)C)[N+](=O)[O-])/O
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Product OPENEYE NAME: (3E)-5-bromo-3-[ethoxy(hydroxy)methylene]-6-methyl-1H-pyridine-2,4-dione
CAS Name: (3E)-5-bromo-3-[ethoxy(hydroxy)methylidene]-6-methyl-1H-pyridine-2,4-dione
IUPAC NAME: (3E)-5-bromo-3-[ethoxy(hydroxy)methylidene]-6-methyl-1H-pyridine-2,4-dione
SYSTEMATIC NAME: (3E)-5-bromanyl-3-[ethoxy(oxidanyl)methylidene]-6-methyl-1H-pyridine-2,4-dione
MOLECULAR FORMULA: C9H10BrNO4
MOLECULAR WEIGHT: 276.084
SMILES: CCO/C(=C/1\C(=O)C(=C(NC1=O)C)Br)/O
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Product OPENEYE NAME: (3E)-3-[ethoxy(hydroxy)methylene]-5-iodo-6-methyl-1H-pyridine-2,4-dione
CAS Name: (3E)-3-[ethoxy(hydroxy)methylidene]-5-iodo-6-methyl-1H-pyridine-2,4-dione
IUPAC NAME: (3E)-3-[ethoxy(hydroxy)methylidene]-5-iodo-6-methyl-1H-pyridine-2,4-dione
SYSTEMATIC NAME: (3E)-3-[ethoxy(oxidanyl)methylidene]-5-iodanyl-6-methyl-1H-pyridine-2,4-dione
MOLECULAR FORMULA: C9H10INO4
MOLECULAR WEIGHT: 323.08447
SMILES: CCO/C(=C/1\C(=O)C(=C(NC1=O)C)I)/O
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Product OPENEYE NAME: (3Z)-3-hydroxyimino-6-methyl-5-nitro-1H-pyridine-2,4-dione
CAS Name: (3Z)-3-hydroxyimino-6-methyl-5-nitro-1H-pyridine-2,4-dione
IUPAC NAME: (3Z)-3-hydroxyimino-6-methyl-5-nitro-1H-pyridine-2,4-dione
SYSTEMATIC NAME: (3Z)-3-hydroxyimino-6-methyl-5-nitro-1H-pyridine-2,4-dione
MOLECULAR FORMULA: C6H5N3O5
MOLECULAR WEIGHT: 199.121
SMILES: CC1=C(C(=O)/C(=N/O)/C(=O)N1)[N+](=O)[O-]
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Product OPENEYE NAME: pentyl (5Z)-5-hydroxyimino-4,6-dioxo-1H-pyridine-3-carboxylate
CAS Name: (5Z)-5-hydroxyimino-4,6-dioxo-1H-pyridine-3-carboxylic acid pentyl ester
IUPAC NAME: pentyl (5Z)-5-hydroxyimino-4,6-dioxo-1H-pyridine-3-carboxylate
SYSTEMATIC NAME: pentyl (5Z)-5-hydroxyimino-4,6-bis(oxidanylidene)-1H-pyridine-3-carboxylate
MOLECULAR FORMULA: C11H14N2O5
MOLECULAR WEIGHT: 254.23926
SMILES: CCCCCOC(=O)C1=CNC(=O)/C(=N\O)/C1=O
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Product OPENEYE NAME: octyl (5Z)-5-hydroxyimino-4,6-dioxo-1H-pyridine-3-carboxylate
CAS Name: (5Z)-5-hydroxyimino-4,6-dioxo-1H-pyridine-3-carboxylic acid octyl ester
IUPAC NAME: octyl (5Z)-5-hydroxyimino-4,6-dioxo-1H-pyridine-3-carboxylate
SYSTEMATIC NAME: octyl (5Z)-5-hydroxyimino-4,6-bis(oxidanylidene)-1H-pyridine-3-carboxylate
MOLECULAR FORMULA: C14H20N2O5
MOLECULAR WEIGHT: 296.319
SMILES: CCCCCCCCOC(=O)C1=CNC(=O)/C(=N\O)/C1=O
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Product OPENEYE NAME: dimethyl (2Z)-2-(ethoxymethylene)-3-oxo-pentanedioate
CAS Name: (2Z)-2-(ethoxymethylidene)-3-oxopentanedioic acid dimethyl ester
IUPAC NAME: dimethyl (2Z)-2-(ethoxymethylidene)-3-oxopentanedioate
SYSTEMATIC NAME: dimethyl (2Z)-2-(ethoxymethylidene)-3-oxidanylidene-pentanedioate
MOLECULAR FORMULA: C10H14O6
MOLECULAR WEIGHT: 230.21456
SMILES: CCO/C=C(/C(=O)CC(=O)OC)\C(=O)OC
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Product OPENEYE NAME: 1,1,1,5,5,5-hexadeuteriopentane-2,4-dione
CAS Name: 1,1,1,5,5,5-hexadeuteriopentane-2,4-dione
IUPAC NAME: 1,1,1,5,5,5-hexadeuteriopentane-2,4-dione
SYSTEMATIC NAME: 1,1,1,5,5,5-hexadeuteriopentane-2,4-dione
MOLECULAR FORMULA: C5H8O2
MOLECULAR WEIGHT: 106.152791
SMILES: [2H]C([2H])([2H])C(=O)CC(=O)C([2H])([2H])[2H]
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Product OPENEYE NAME: 4-(2-chloroethyl)-5-(deuteriomethyl)-3-(trideuteriomethyl)-1H-pyrrole-2-carbaldehyde
CAS Name: 4-(2-chloroethyl)-5-(deuteriomethyl)-3-(trideuteriomethyl)-1H-pyrrole-2-carboxaldehyde
IUPAC NAME: 4-(2-chloroethyl)-5-(deuteriomethyl)-3-(trideuteriomethyl)-1H-pyrrole-2-carbaldehyde
SYSTEMATIC NAME: 4-(2-chloroethyl)-5-(deuteriomethyl)-3-(trideuteriomethyl)-1H-pyrrole-2-carbaldehyde
MOLECULAR FORMULA: C9H12ClNO
MOLECULAR WEIGHT: 189.675327
SMILES: [2H]CC1=C(C(=C(N1)C=O)C([2H])([2H])[2H])CCCl
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Product OPENEYE NAME: benzyl 5-[[5-tert-butoxycarbonyl-3-(3-methoxy-3-oxo-propyl)-4-(trideuteriomethyl)-1H-pyrrol-2-yl]methyl]-4-(3-methoxy-3-oxo-propyl)-3-methyl-1H-pyrrole-2-carboxylate
CAS Name: 4-(3-methoxy-3-oxopropyl)-5-[[3-(3-methoxy-3-oxopropyl)-5-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-(trideuteriomethyl)-1H-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester
IUPAC NAME: benzyl 4-(3-methoxy-3-oxopropyl)-5-[[3-(3-methoxy-3-oxopropyl)-5-[(2-methylpropan-2-yl)oxycarbonyl]-4-(trideuteriomethyl)-1H-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrole-2-carboxylate
SYSTEMATIC NAME: (phenylmethyl) 4-(3-methoxy-3-oxidanylidene-propyl)-5-[[3-(3-methoxy-3-oxidanylidene-propyl)-5-[(2-methylpropan-2-yl)oxycarbonyl]-4-(trideuteriomethyl)-1H-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrole-2-carboxylate
MOLECULAR FORMULA: C32H40N2O8
MOLECULAR WEIGHT: 583.687085
SMILES: [2H]C([2H])([2H])C1=C(NC(=C1CCC(=O)OC)CC2=C(C(=C(N2)C(=O)OCC3=CC=CC=C3)C)CCC(=O)OC)C(=O)OC(C)(C)C
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Product OPENEYE NAME: 5-[[5-tert-butoxycarbonyl-3-(3-methoxy-3-oxo-propyl)-4-(trideuteriomethyl)-1H-pyrrol-2-yl]methyl]-4-(3-methoxy-3-oxo-propyl)-3-methyl-1H-pyrrole-2-carboxylic acid
CAS Name: 4-(3-methoxy-3-oxopropyl)-5-[[3-(3-methoxy-3-oxopropyl)-5-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-(trideuteriomethyl)-1H-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrole-2-carboxylic acid
IUPAC NAME: 4-(3-methoxy-3-oxopropyl)-5-[[3-(3-methoxy-3-oxopropyl)-5-[(2-methylpropan-2-yl)oxycarbonyl]-4-(trideuteriomethyl)-1H-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrole-2-carboxylic acid
SYSTEMATIC NAME: 4-(3-methoxy-3-oxidanylidene-propyl)-5-[[3-(3-methoxy-3-oxidanylidene-propyl)-5-[(2-methylpropan-2-yl)oxycarbonyl]-4-(trideuteriomethyl)-1H-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrole-2-carboxylic acid
MOLECULAR FORMULA: C25H34N2O8
MOLECULAR WEIGHT: 493.564545
SMILES: [2H]C([2H])([2H])C1=C(NC(=C1CCC(=O)OC)CC2=C(C(=C(N2)C(=O)O)C)CCC(=O)OC)C(=O)OC(C)(C)C
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Product OPENEYE NAME: benzyl 4-(2-chloroethyl)-5-(deuteriomethyl)-3-(trideuteriomethyl)-1H-pyrrole-2-carboxylate
CAS Name: 4-(2-chloroethyl)-5-(deuteriomethyl)-3-(trideuteriomethyl)-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester
IUPAC NAME: benzyl 4-(2-chloroethyl)-5-(deuteriomethyl)-3-(trideuteriomethyl)-1H-pyrrole-2-carboxylate
SYSTEMATIC NAME: (phenylmethyl) 4-(2-chloroethyl)-5-(deuteriomethyl)-3-(trideuteriomethyl)-1H-pyrrole-2-carboxylate
MOLECULAR FORMULA: C16H18ClNO2
MOLECULAR WEIGHT: 295.797267
SMILES: [2H]CC1=C(C(=C(N1)C(=O)OCC2=CC=CC=C2)C([2H])([2H])[2H])CCCl
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Product OPENEYE NAME: 4-(2-chloroethyl)-5-(deuteriomethyl)-3-(trideuteriomethyl)-1H-pyrrole-2-carboxylic acid
CAS Name: 4-(2-chloroethyl)-5-(deuteriomethyl)-3-(trideuteriomethyl)-1H-pyrrole-2-carboxylic acid
IUPAC NAME: 4-(2-chloroethyl)-5-(deuteriomethyl)-3-(trideuteriomethyl)-1H-pyrrole-2-carboxylic acid
SYSTEMATIC NAME: 4-(2-chloroethyl)-5-(deuteriomethyl)-3-(trideuteriomethyl)-1H-pyrrole-2-carboxylic acid
MOLECULAR FORMULA: C9H12ClNO2
MOLECULAR WEIGHT: 205.674727
SMILES: [2H]CC1=C(C(=C(N1)C(=O)O)C([2H])([2H])[2H])CCCl
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Product OPENEYE NAME: tert-butyl 5-[[(5Z)-5-[[4-(2-chloroethyl)-5-methyl-3-(trideuteriomethyl)-1H-pyrrol-2-yl]methylene]-3-(3-methoxy-3-oxo-propyl)-4-methyl-pyrrol-2-yl]methyl]-4-(3-methoxy-3-oxo-propyl)-3-(trideuteriomethyl)-1H-pyrrole-2-carboxylate
CAS Name: 5-[[(5Z)-5-[[4-(2-chloroethyl)-5-methyl-3-(trideuteriomethyl)-1H-pyrrol-2-yl]methylidene]-3-(3-methoxy-3-oxopropyl)-4-methyl-2-pyrrolyl]methyl]-4-(3-methoxy-3-oxopropyl)-3-(trideuteriomethyl)-1H-pyrrole-2-carboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl 5-[[(5Z)-5-[[4-(2-chloroethyl)-5-methyl-3-(trideuteriomethyl)-1H-pyrrol-2-yl]methylidene]-3-(3-methoxy-3-oxopropyl)-4-methylpyrrol-2-yl]methyl]-4-(3-methoxy-3-oxopropyl)-3-(trideuteriomethyl)-1H-pyrrole-2-carboxylate
SYSTEMATIC NAME: tert-butyl 5-[[(5Z)-5-[[4-(2-chloroethyl)-5-methyl-3-(trideuteriomethyl)-1H-pyrrol-2-yl]methylidene]-3-(3-methoxy-3-oxidanylidene-propyl)-4-methyl-pyrrol-2-yl]methyl]-4-(3-methoxy-3-oxidanylidene-propyl)-3-(trideuteriomethyl)-1H-pyrrole-2-carboxylate
MOLECULAR FORMULA: C33H44ClN3O6
MOLECULAR WEIGHT: 620.208931
SMILES: [2H]C([2H])([2H])C1=C(NC(=C1CCC(=O)OC)CC2=N/C(=C\C3=C(C(=C(N3)C)CCCl)C([2H])([2H])[2H])/C(=C2CCC(=O)OC)C)C(=O)OC(C)(C)C
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Product OPENEYE NAME: methyl 3-[(5Z)-2-[[(5Z)-5-[[3-(2-chloroethyl)-4,5-dimethyl-1H-pyrrol-2-yl]methylene]-3-(3-methoxy-3-oxo-propyl)-4-(trideuteriomethyl)pyrrol-2-yl]methyl]-5-[[4-(2-chloroethyl)-5-methyl-3-(trideuteriomethyl)-1H-pyrrol-2-yl]methylene]-4-methyl-pyrrol-3-yl]pr
CAS Name: 3-[(5Z)-2-[[(5Z)-5-[[3-(2-chloroethyl)-4,5-dimethyl-1H-pyrrol-2-yl]methylidene]-3-(3-methoxy-3-oxopropyl)-4-(trideuteriomethyl)-2-pyrrolyl]methyl]-5-[[4-(2-chloroethyl)-5-methyl-3-(trideuteriomethyl)-1H-pyrrol-2-yl]methylidene]-4-methyl-3-pyrrolyl]propano
IUPAC NAME: methyl 3-[(5Z)-2-[[(5Z)-5-[[3-(2-chloroethyl)-4,5-dimethyl-1H-pyrrol-2-yl]methylidene]-3-(3-methoxy-3-oxopropyl)-4-(trideuteriomethyl)pyrrol-2-yl]methyl]-5-[[4-(2-chloroethyl)-5-methyl-3-(trideuteriomethyl)-1H-pyrrol-2-yl]methylidene]-4-methylpyrrol-3-yl]
SYSTEMATIC NAME: methyl 3-[(5Z)-2-[[(5Z)-5-[[3-(2-chloroethyl)-4,5-dimethyl-1H-pyrrol-2-yl]methylidene]-3-(3-methoxy-3-oxidanylidene-propyl)-4-(trideuteriomethyl)pyrrol-2-yl]methyl]-5-[[4-(2-chloroethyl)-5-methyl-3-(trideuteriomethyl)-1H-pyrrol-2-yl]methylidene]-4-methyl-
MOLECULAR FORMULA: C37H46Cl2N4O4
MOLECULAR WEIGHT: 687.728511
SMILES: [2H]C([2H])([2H])C\1=C(C(=N/C1=C\C2=C(C(=C(N2)C)C)CCCl)CC3=N/C(=C\C4=C(C(=C(N4)C)CCCl)C([2H])([2H])[2H])/C(=C3CCC(=O)OC)C)CCC(=O)OC
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Product OPENEYE NAME: methyl 3-[8,13-bis(2-chloroethyl)-18-(3-methoxy-3-oxo-propyl)-3,12-dimethyl-7,17-bis(trideuteriomethyl)-22,24-dihydroporphyrin-2-yl]propanoate
CAS Name: 3-[8,13-bis(2-chloroethyl)-18-(3-methoxy-3-oxopropyl)-3,12-dimethyl-7,17-bis(trideuteriomethyl)-22,24-dihydroporphyrin-2-yl]propanoic acid methyl ester
IUPAC NAME: methyl 3-[8,13-bis(2-chloroethyl)-18-(3-methoxy-3-oxopropyl)-3,12-dimethyl-7,17-bis(trideuteriomethyl)-22,24-dihydroporphyrin-2-yl]propanoate
SYSTEMATIC NAME: methyl 3-[8,13-bis(2-chloroethyl)-18-(3-methoxy-3-oxidanylidene-propyl)-3,12-dimethyl-7,17-bis(trideuteriomethyl)-22,24-dihydroporphyrin-2-yl]propanoate
MOLECULAR FORMULA: C36H40Cl2N4O4
MOLECULAR WEIGHT: 669.670171
SMILES: [2H]C([2H])([2H])C1=C(C2=CC3=NC(=CC4=C(C(=C(N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)OC)CCC(=O)OC)C([2H])([2H])[2H])C(=C3C)CCCl)CCCl
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Product OPENEYE NAME: methyl 3-[18-(3-methoxy-3-oxo-propyl)-3,12-dimethyl-7,17-bis(trideuteriomethyl)-8,13-divinyl-22,23-dihydroporphyrin-2-yl]propanoate
CAS Name: 3-[8,13-bis(ethenyl)-18-(3-methoxy-3-oxopropyl)-3,12-dimethyl-7,17-bis(trideuteriomethyl)-22,23-dihydroporphyrin-2-yl]propanoic acid methyl ester
IUPAC NAME: methyl 3-[8,13-bis(ethenyl)-18-(3-methoxy-3-oxopropyl)-3,12-dimethyl-7,17-bis(trideuteriomethyl)-22,23-dihydroporphyrin-2-yl]propanoate
SYSTEMATIC NAME: methyl 3-[8,13-bis(ethenyl)-18-(3-methoxy-3-oxidanylidene-propyl)-3,12-dimethyl-7,17-bis(trideuteriomethyl)-22,23-dihydroporphyrin-2-yl]propanoate
MOLECULAR FORMULA: C36H38N4O4
MOLECULAR WEIGHT: 596.748291
SMILES: [2H]C([2H])([2H])C1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)OC)CCC(=O)OC)C([2H])([2H])[2H])C=C)C)C=C
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Product OPENEYE NAME: methyl 3-[5-[(Z)-[3-(2-chloroethyl)-5-[[3-(2-chloroethyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoate
CAS Name: 3-[5-[(Z)-[3-(2-chloroethyl)-5-[[3-(2-chloroethyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-2-pyrrolylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid methyl ester
IUPAC NAME: methyl 3-[5-[(Z)-[3-(2-chloroethyl)-5-[[3-(2-chloroethyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methylpyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoate
SYSTEMATIC NAME: methyl 3-[5-[(Z)-[3-(2-chloroethyl)-5-[[3-(2-chloroethyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoate
MOLECULAR FORMULA: C26H33Cl2N3O2
MOLECULAR WEIGHT: 490.46512
SMILES: CC1=CNC(=C1CCCl)CC2=N/C(=C\C3=C(C(=C(N3)C)CCC(=O)OC)C)/C(=C2C)CCCl
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