Product OPENEYE NAME: tert-butyl 5-[[(5Z)-5-[[4-(2-chloroethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylene]-3-(3-methoxy-3-oxo-propyl)-4-methyl-pyrrol-2-yl]methyl]-4-(3-methoxy-3-oxo-propyl)-3-methyl-1H-pyrrole-2-carboxylate
CAS Name: 5-[[(5Z)-5-[[4-(2-chloroethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-3-(3-methoxy-3-oxopropyl)-4-methyl-2-pyrrolyl]methyl]-4-(3-methoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2-carboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl 5-[[(5Z)-5-[[4-(2-chloroethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-3-(3-methoxy-3-oxopropyl)-4-methylpyrrol-2-yl]methyl]-4-(3-methoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2-carboxylate
SYSTEMATIC NAME: tert-butyl 5-[[(5Z)-5-[[4-(2-chloroethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-3-(3-methoxy-3-oxidanylidene-propyl)-4-methyl-pyrrol-2-yl]methyl]-4-(3-methoxy-3-oxidanylidene-propyl)-3-methyl-1H-pyrrole-2-carboxylate
MOLECULAR FORMULA: C33H44ClN3O6
MOLECULAR WEIGHT: 614.17196
SMILES: CC\1=C(C(=N/C1=C\C2=C(C(=C(N2)C)CCCl)C)CC3=C(C(=C(N3)C(=O)OC(C)(C)C)C)CCC(=O)OC)CCC(=O)OC
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Product OPENEYE NAME: benzyl 5-[[5-tert-butoxycarbonyl-3-(3-methoxy-3-oxo-propyl)-4-methyl-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)-4-methyl-5-[(2-methylpropan-2-yl)oxy-oxomethyl]-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)-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-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)-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1H-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrole-2-carboxylate
MOLECULAR FORMULA: C32H40N2O8
MOLECULAR WEIGHT: 580.6686
SMILES: CC1=C(NC(=C1CCC(=O)OC)CC2=C(C(=C(N2)C(=O)OC(C)(C)C)C)CCC(=O)OC)C(=O)OCC3=CC=CC=C3
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Product OPENEYE NAME: 5-[[5-tert-butoxycarbonyl-3-(3-methoxy-3-oxo-propyl)-4-methyl-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)-4-methyl-5-[(2-methylpropan-2-yl)oxy-oxomethyl]-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)-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-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)-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1H-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrole-2-carboxylic acid
MOLECULAR FORMULA: C25H34N2O8
MOLECULAR WEIGHT: 490.54606
SMILES: CC1=C(NC(=C1CCC(=O)OC)CC2=C(C(=C(N2)C(=O)OC(C)(C)C)C)CCC(=O)OC)C(=O)O
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Product OPENEYE NAME: (1S,3S)-1-benzoyl-6-phenyl-2,7-dioxaspiro[2.4]hept-5-en-4-one
CAS Name: (1S,3S)-1-benzoyl-6-phenyl-2,7-dioxaspiro[2.4]hept-5-en-4-one
IUPAC NAME: (1S,3S)-1-benzoyl-6-phenyl-2,7-dioxaspiro[2.4]hept-5-en-4-one
SYSTEMATIC NAME: (1S,3S)-6-phenyl-1-(phenylcarbonyl)-2,7-dioxaspiro[2.4]hept-5-en-4-one
MOLECULAR FORMULA: C18H12O4
MOLECULAR WEIGHT: 292.28548
SMILES: C1=CC=C(C=C1)C2=CC(=O)[C@@]3(O2)[C@@H](O3)C(=O)C4=CC=CC=C4
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Product OPENEYE NAME: (1S,3S)-1-acetyl-6-phenyl-2,7-dioxaspiro[2.4]hept-5-en-4-one
CAS Name: (1S,3S)-1-acetyl-6-phenyl-2,7-dioxaspiro[2.4]hept-5-en-4-one
IUPAC NAME: (1S,3S)-1-acetyl-6-phenyl-2,7-dioxaspiro[2.4]hept-5-en-4-one
SYSTEMATIC NAME: (1S,3S)-1-ethanoyl-6-phenyl-2,7-dioxaspiro[2.4]hept-5-en-4-one
MOLECULAR FORMULA: C13H10O4
MOLECULAR WEIGHT: 230.2161
SMILES: CC(=O)[C@H]1[C@@]2(O1)C(=O)C=C(O2)C3=CC=CC=C3
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Product OPENEYE NAME: (1S,3S)-6-tert-butyl-1-(2,2-dimethylpropanoyl)-2,7-dioxaspiro[2.4]hept-5-en-4-one
CAS Name: (1S,3S)-6-tert-butyl-1-(2,2-dimethyl-1-oxopropyl)-2,7-dioxaspiro[2.4]hept-5-en-4-one
IUPAC NAME: (1S,3S)-6-tert-butyl-1-(2,2-dimethylpropanoyl)-2,7-dioxaspiro[2.4]hept-5-en-4-one
SYSTEMATIC NAME: (1S,3S)-6-tert-butyl-1-(2,2-dimethylpropanoyl)-2,7-dioxaspiro[2.4]hept-5-en-4-one
MOLECULAR FORMULA: C14H20O4
MOLECULAR WEIGHT: 252.3062
SMILES: CC(C)(C)C1=CC(=O)[C@@]2(O1)[C@@H](O2)C(=O)C(C)(C)C
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Product OPENEYE NAME: tert-butyl 4-[2-(methylamino)acetyl]indole-1-carboxylate
CAS Name: 4-[2-(methylamino)-1-oxoethyl]-1-indolecarboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl 4-[2-(methylamino)acetyl]indole-1-carboxylate
SYSTEMATIC NAME: tert-butyl 4-[2-(methylamino)ethanoyl]indole-1-carboxylate
MOLECULAR FORMULA: C16H20N2O3
MOLECULAR WEIGHT: 288.3416
SMILES: CC(C)(C)OC(=O)N1C=CC2=C(C=CC=C21)C(=O)CNC
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Product OPENEYE NAME: tert-butyl 4-[2-(ethylamino)acetyl]indole-1-carboxylate
CAS Name: 4-[2-(ethylamino)-1-oxoethyl]-1-indolecarboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl 4-[2-(ethylamino)acetyl]indole-1-carboxylate
SYSTEMATIC NAME: tert-butyl 4-[2-(ethylamino)ethanoyl]indole-1-carboxylate
MOLECULAR FORMULA: C17H22N2O3
MOLECULAR WEIGHT: 302.36818
SMILES: CCNCC(=O)C1=C2C=CN(C2=CC=C1)C(=O)OC(C)(C)C
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Product OPENEYE NAME: tert-butyl 4-[1-hydroxy-2-(propylamino)ethyl]indole-1-carboxylate
CAS Name: 4-[1-hydroxy-2-(propylamino)ethyl]-1-indolecarboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl 4-[1-hydroxy-2-(propylamino)ethyl]indole-1-carboxylate
SYSTEMATIC NAME: tert-butyl 4-[1-oxidanyl-2-(propylamino)ethyl]indole-1-carboxylate
MOLECULAR FORMULA: C18H26N2O3
MOLECULAR WEIGHT: 318.41064
SMILES: CCCNCC(C1=C2C=CN(C2=CC=C1)C(=O)OC(C)(C)C)O
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Product OPENEYE NAME: tert-butyl 4-[2-(propylamino)acetyl]indole-1-carboxylate
CAS Name: 4-[1-oxo-2-(propylamino)ethyl]-1-indolecarboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl 4-[2-(propylamino)acetyl]indole-1-carboxylate
SYSTEMATIC NAME: tert-butyl 4-[2-(propylamino)ethanoyl]indole-1-carboxylate
MOLECULAR FORMULA: C18H24N2O3
MOLECULAR WEIGHT: 316.39476
SMILES: CCCNCC(=O)C1=C2C=CN(C2=CC=C1)C(=O)OC(C)(C)C
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Product OPENEYE NAME: tert-butyl 4-[2-[(2-chloroacetyl)-propyl-amino]-1-hydroxy-ethyl]indole-1-carboxylate
CAS Name: 4-[2-[(2-chloro-1-oxoethyl)-propylamino]-1-hydroxyethyl]-1-indolecarboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl 4-[2-[(2-chloroacetyl)-propylamino]-1-hydroxyethyl]indole-1-carboxylate
SYSTEMATIC NAME: tert-butyl 4-[2-[2-chloranylethanoyl(propyl)amino]-1-oxidanyl-ethyl]indole-1-carboxylate
MOLECULAR FORMULA: C20H27ClN2O4
MOLECULAR WEIGHT: 394.89238
SMILES: CCCN(CC(C1=C2C=CN(C2=CC=C1)C(=O)OC(C)(C)C)O)C(=O)CCl
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Product OPENEYE NAME: tert-butyl 4-(5-oxo-4-propyl-morpholin-2-yl)indole-1-carboxylate
CAS Name: 4-(5-oxo-4-propyl-2-morpholinyl)-1-indolecarboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl 4-(5-oxo-4-propylmorpholin-2-yl)indole-1-carboxylate
SYSTEMATIC NAME: tert-butyl 4-(5-oxidanylidene-4-propyl-morpholin-2-yl)indole-1-carboxylate
MOLECULAR FORMULA: C20H26N2O4
MOLECULAR WEIGHT: 358.43144
SMILES: CCCN1CC(OCC1=O)C2=C3C=CN(C3=CC=C2)C(=O)OC(C)(C)C
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Product OPENEYE NAME: tert-butyl 4-[2-[benzyl(methyl)amino]acetyl]indole-1-carboxylate
CAS Name: 4-[2-[methyl-(phenylmethyl)amino]-1-oxoethyl]-1-indolecarboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl 4-[2-[benzyl(methyl)amino]acetyl]indole-1-carboxylate
SYSTEMATIC NAME: tert-butyl 4-[2-[methyl-(phenylmethyl)amino]ethanoyl]indole-1-carboxylate
MOLECULAR FORMULA: C23H26N2O3
MOLECULAR WEIGHT: 378.46414
SMILES: CC(C)(C)OC(=O)N1C=CC2=C(C=CC=C21)C(=O)CN(C)CC3=CC=CC=C3
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Product OPENEYE NAME: 2-iodo-7-methyl-purine
CAS Name: 2-iodo-7-methylpurine
IUPAC NAME: 2-iodo-7-methylpurine
SYSTEMATIC NAME: 2-iodanyl-7-methyl-purine
MOLECULAR FORMULA: C6H5IN4
MOLECULAR WEIGHT: 260.03517
SMILES: CN1C=NC2=NC(=NC=C21)I
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Product OPENEYE NAME: (Z)-3-hydroxy-2-[2-(methylamino)benzoyl]-3-(1-piperidyl)prop-2-enenitrile
CAS Name: (Z)-3-hydroxy-2-[[2-(methylamino)phenyl]-oxomethyl]-3-(1-piperidinyl)-2-propenenitrile
IUPAC NAME: (Z)-3-hydroxy-2-[2-(methylamino)benzoyl]-3-piperidin-1-ylprop-2-enenitrile
SYSTEMATIC NAME: (Z)-2-[2-(methylamino)phenyl]carbonyl-3-oxidanyl-3-piperidin-1-yl-prop-2-enenitrile
MOLECULAR FORMULA: C16H19N3O2
MOLECULAR WEIGHT: 285.34096
SMILES: CNC1=CC=CC=C1C(=O)/C(=C(/N2CCCCC2)\O)/C#N
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Product OPENEYE NAME: N-(2-chloroethyl)-2-methyl-benzamide
CAS Name: N-(2-chloroethyl)-2-methylbenzamide
IUPAC NAME: N-(2-chloroethyl)-2-methylbenzamide
SYSTEMATIC NAME: N-(2-chloroethyl)-2-methyl-benzamide
MOLECULAR FORMULA: C10H12ClNO
MOLECULAR WEIGHT: 197.66138
SMILES: CC1=CC=CC=C1C(=O)NCCCl
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Product OPENEYE NAME: N-(2-chloroethyl)-3-nitro-benzamide
CAS Name: N-(2-chloroethyl)-3-nitrobenzamide
IUPAC NAME: N-(2-chloroethyl)-3-nitrobenzamide
SYSTEMATIC NAME: N-(2-chloroethyl)-3-nitro-benzamide
MOLECULAR FORMULA: C9H9ClN2O3
MOLECULAR WEIGHT: 228.63236
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NCCCl
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Product OPENEYE NAME: N-(2-chloroethyl)thiophene-2-carboxamide
CAS Name: N-(2-chloroethyl)-2-thiophenecarboxamide
IUPAC NAME: N-(2-chloroethyl)thiophene-2-carboxamide
SYSTEMATIC NAME: N-(2-chloroethyl)thiophene-2-carboxamide
MOLECULAR FORMULA: C7H8ClNOS
MOLECULAR WEIGHT: 189.66252
SMILES: C1=CSC(=C1)C(=O)NCCCl
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Product OPENEYE NAME: N-(2-chloroethyl)adamantane-1-carboxamide
CAS Name: N-(2-chloroethyl)-1-adamantanecarboxamide
IUPAC NAME: N-(2-chloroethyl)adamantane-1-carboxamide
SYSTEMATIC NAME: N-(2-chloroethyl)adamantane-1-carboxamide
MOLECULAR FORMULA: C13H20ClNO
MOLECULAR WEIGHT: 241.757
SMILES: C1C2CC3CC1CC(C2)(C3)C(=O)NCCCl
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Product OPENEYE NAME: 1,9-dideuterio-10H-phenothiazine
CAS Name: 1,9-dideuterio-10H-phenothiazine
IUPAC NAME: 1,9-dideuterio-10H-phenothiazine
SYSTEMATIC NAME: 1,9-dideuterio-10H-phenothiazine
MOLECULAR FORMULA: C12H9NS
MOLECULAR WEIGHT: 201.283884
SMILES: [2H]C1=C2C(=CC=C1)SC3=CC=CC(=C3N2)[2H]
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