Product OPENEYE NAME: 2-[2-(dibenzylamino)-5-methoxy-1H-indol-3-yl]acetic acid
CAS Name: 2-[2-[bis(phenylmethyl)amino]-5-methoxy-1H-indol-3-yl]acetic acid
IUPAC NAME: 2-[2-(dibenzylamino)-5-methoxy-1H-indol-3-yl]acetic acid
SYSTEMATIC NAME: 2-[2-[bis(phenylmethyl)amino]-5-methoxy-1H-indol-3-yl]ethanoic acid
MOLECULAR FORMULA: C25H24N2O3
MOLECULAR WEIGHT: 400.46966
SMILES: COC1=CC2=C(C=C1)NC(=C2CC(=O)O)N(CC3=CC=CC=C3)CC4=CC=CC=C4
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Product OPENEYE NAME: 2-[2-(1-benzamidoethyl)-1H-indol-3-yl]acetic acid
CAS Name: 2-[2-(1-benzamidoethyl)-1H-indol-3-yl]acetic acid
IUPAC NAME: 2-[2-(1-benzamidoethyl)-1H-indol-3-yl]acetic acid
SYSTEMATIC NAME: 2-[2-(1-benzamidoethyl)-1H-indol-3-yl]ethanoic acid
MOLECULAR FORMULA: C19H18N2O3
MOLECULAR WEIGHT: 322.35782
SMILES: CC(C1=C(C2=CC=CC=C2N1)CC(=O)O)NC(=O)C3=CC=CC=C3
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Product OPENEYE NAME: 2-[2-(1-benzamidoethyl)-5-fluoro-1H-indol-3-yl]acetic acid
CAS Name: 2-[2-(1-benzamidoethyl)-5-fluoro-1H-indol-3-yl]acetic acid
IUPAC NAME: 2-[2-(1-benzamidoethyl)-5-fluoro-1H-indol-3-yl]acetic acid
SYSTEMATIC NAME: 2-[2-(1-benzamidoethyl)-5-fluoranyl-1H-indol-3-yl]ethanoic acid
MOLECULAR FORMULA: C19H17FN2O3
MOLECULAR WEIGHT: 340.348283
SMILES: CC(C1=C(C2=C(N1)C=CC(=C2)F)CC(=O)O)NC(=O)C3=CC=CC=C3
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Product OPENEYE NAME: 2-[7-methoxy-1-(2-pyridylmethyl)pyrimido[1,6-a]indol-5-yl]acetic acid
CAS Name: 2-[7-methoxy-1-(2-pyridinylmethyl)-5-pyrimido[1,6-a]indolyl]acetic acid
IUPAC NAME: 2-[7-methoxy-1-(pyridin-2-ylmethyl)pyrimido[1,6-a]indol-5-yl]acetic acid
SYSTEMATIC NAME: 2-[7-methoxy-1-(pyridin-2-ylmethyl)pyrimido[1,6-a]indol-5-yl]ethanoic acid
MOLECULAR FORMULA: C20H17N3O3
MOLECULAR WEIGHT: 347.36728
SMILES: COC1=CC2=C(C=C1)N3C(=C2CC(=O)O)C=CN=C3CC4=CC=CC=N4
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Product OPENEYE NAME: 2-[2-(1-aminoethyl)-5-methoxy-1H-indol-3-yl]acetic acid
CAS Name: 2-[2-(1-aminoethyl)-5-methoxy-1H-indol-3-yl]acetic acid
IUPAC NAME: 2-[2-(1-aminoethyl)-5-methoxy-1H-indol-3-yl]acetic acid
SYSTEMATIC NAME: 2-[2-(1-azanylethyl)-5-methoxy-1H-indol-3-yl]ethanoic acid
MOLECULAR FORMULA: C13H16N2O3
MOLECULAR WEIGHT: 248.27774
SMILES: CC(C1=C(C2=C(N1)C=CC(=C2)OC)CC(=O)O)N
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Product OPENEYE NAME: 2-[2-[1-[(2,6-dichlorobenzoyl)amino]ethyl]-1H-indol-3-yl]acetic acid
CAS Name: 2-[2-[1-[[(2,6-dichlorophenyl)-oxomethyl]amino]ethyl]-1H-indol-3-yl]acetic acid
IUPAC NAME: 2-[2-[1-[(2,6-dichlorobenzoyl)amino]ethyl]-1H-indol-3-yl]acetic acid
SYSTEMATIC NAME: 2-[2-[1-[[2,6-bis(chloranyl)phenyl]carbonylamino]ethyl]-1H-indol-3-yl]ethanoic acid
MOLECULAR FORMULA: C19H16Cl2N2O3
MOLECULAR WEIGHT: 391.24794
SMILES: CC(C1=C(C2=CC=CC=C2N1)CC(=O)O)NC(=O)C3=C(C=CC=C3Cl)Cl
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Product OPENEYE NAME: 2-[2-[1-(aminomethyl)-1-benzyl-2-phenyl-ethyl]-5-methoxy-1H-indol-3-yl]acetonitrile
CAS Name: 2-[2-[1-amino-3-phenyl-2-(phenylmethyl)propan-2-yl]-5-methoxy-1H-indol-3-yl]acetonitrile
IUPAC NAME: 2-[2-(1-amino-2-benzyl-3-phenylpropan-2-yl)-5-methoxy-1H-indol-3-yl]acetonitrile
SYSTEMATIC NAME: 2-[2-[1-azanyl-3-phenyl-2-(phenylmethyl)propan-2-yl]-5-methoxy-1H-indol-3-yl]ethanenitrile
MOLECULAR FORMULA: C27H27N3O
MOLECULAR WEIGHT: 409.52278
SMILES: COC1=CC2=C(C=C1)NC(=C2CC#N)C(CC3=CC=CC=C3)(CC4=CC=CC=C4)CN
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Product OPENEYE NAME: (2E)-2-[(2-methyl-6-phenyl-imidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylene]-3-oxo-butanoic acid
CAS Name: (2E)-2-[(2-methyl-6-phenyl-5-imidazo[2,1-b][1,3,4]thiadiazolyl)methylidene]-3-oxobutanoic acid
IUPAC NAME: (2E)-2-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylidene]-3-oxobutanoic acid
SYSTEMATIC NAME: (2E)-2-[(2-methyl-6-phenyl-imidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylidene]-3-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C16H13N3O3S
MOLECULAR WEIGHT: 327.35772
SMILES: CC1=NN2C(=C(N=C2S1)C3=CC=CC=C3)/C=C(\C(=O)C)/C(=O)O
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Product OPENEYE NAME: 1-methyl-1-sulfanyl-tetrazol-1-ium
CAS Name: 1-mercapto-1-methyltetrazol-1-ium
IUPAC NAME: 1-methyl-1-sulfanyltetrazol-1-ium
SYSTEMATIC NAME: 1-methyl-1-sulfanyl-1,2,3,4-tetrazol-1-ium
MOLECULAR FORMULA: C2H5N4S+
MOLECULAR WEIGHT: 117.1529
SMILES: C[N+]1(C=NN=N1)S
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Product OPENEYE NAME: 3-azido-1-[(1E)-1-[benzyloxy(hydroxy)methylene]-2-oxo-propyl]-4-ethynyl-azetidin-2-one
CAS Name: 3-azido-4-ethynyl-1-[(E)-1-hydroxy-3-oxo-1-phenylmethoxybut-1-en-2-yl]-2-azetidinone
IUPAC NAME: 3-azido-4-ethynyl-1-[(E)-1-hydroxy-3-oxo-1-phenylmethoxybut-1-en-2-yl]azetidin-2-one
SYSTEMATIC NAME: 3-azido-4-ethynyl-1-[(E)-1-oxidanyl-3-oxidanylidene-1-phenylmethoxy-but-1-en-2-yl]azetidin-2-one
MOLECULAR FORMULA: C16H14N4O4
MOLECULAR WEIGHT: 326.30676
SMILES: CC(=O)/C(=C(/O)\OCC1=CC=CC=C1)/N2C(C(C2=O)N=[N+]=[N-])C#C
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Product OPENEYE NAME: benzyl (E)-2-(3-azido-2-ethynyl-4-oxo-azetidin-1-yl)-3-methylsulfonyloxy-but-2-enoate
CAS Name: (E)-2-(3-azido-2-ethynyl-4-oxo-1-azetidinyl)-3-methylsulfonyloxy-2-butenoic acid (phenylmethyl) ester
IUPAC NAME: benzyl (E)-2-(3-azido-2-ethynyl-4-oxoazetidin-1-yl)-3-methylsulfonyloxybut-2-enoate
SYSTEMATIC NAME: (phenylmethyl) (E)-2-(3-azido-2-ethynyl-4-oxidanylidene-azetidin-1-yl)-3-methylsulfonyloxy-but-2-enoate
MOLECULAR FORMULA: C17H16N4O6S
MOLECULAR WEIGHT: 404.39714
SMILES: C/C(=C(/C(=O)OCC1=CC=CC=C1)\N2C(C(C2=O)N=[N+]=[N-])C#C)/OS(=O)(=O)C
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Product OPENEYE NAME: benzyl 2-[4-[3-azido-2-oxo-4-(2-trimethylsilylethynyl)azetidin-1-yl]-4-ethyl-1,3-dioxetan-2-yl]acetate
CAS Name: 2-[4-[3-azido-2-oxo-4-(2-trimethylsilylethynyl)-1-azetidinyl]-4-ethyl-1,3-dioxetan-2-yl]acetic acid (phenylmethyl) ester
IUPAC NAME: benzyl 2-[4-[3-azido-2-oxo-4-(2-trimethylsilylethynyl)azetidin-1-yl]-4-ethyl-1,3-dioxetan-2-yl]acetate
SYSTEMATIC NAME: (phenylmethyl) 2-[4-[3-azido-2-oxidanylidene-4-(2-trimethylsilylethynyl)azetidin-1-yl]-4-ethyl-1,3-dioxetan-2-yl]ethanoate
MOLECULAR FORMULA: C21H26N4O5Si
MOLECULAR WEIGHT: 442.54044
SMILES: CCC1(OC(O1)CC(=O)OCC2=CC=CC=C2)N3C(C(C3=O)N=[N+]=[N-])C#C[Si](C)(C)C
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Product OPENEYE NAME: 2-(1-sulfanyltetrazol-1-ium-1-yl)acetic acid
CAS Name: 2-(1-mercapto-1-tetrazol-1-iumyl)acetic acid
IUPAC NAME: 2-(1-sulfanyltetrazol-1-ium-1-yl)acetic acid
SYSTEMATIC NAME: 2-(1-sulfanyl-1,2,3,4-tetrazol-1-ium-1-yl)ethanoic acid
MOLECULAR FORMULA: C3H5N4O2S+
MOLECULAR WEIGHT: 161.1624
SMILES: C1=NN=N[N+]1(CC(=O)O)S
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Product OPENEYE NAME: 4-benzyltriazolo[1,5-a]pyrazin-8-ium-8-carboxylate
CAS Name: 4-(phenylmethyl)-8-triazolo[1,5-a]pyrazin-8-iumcarboxylate
IUPAC NAME: 4-benzyltriazolo[1,5-a]pyrazin-8-ium-8-carboxylate
SYSTEMATIC NAME: 4-(phenylmethyl)-[1,2,3]triazolo[1,5-a]pyrazin-8-ium-8-carboxylate
MOLECULAR FORMULA: C13H10N4O2
MOLECULAR WEIGHT: 254.2441
SMILES: C1=CC=C(C=C1)CC2=NC=C[N+]3(C2=CN=N3)C(=O)[O-]
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Product OPENEYE NAME: 4-benzyltriazolo[1,5-a]pyrazin-8-ium-8-carboxylic acid
CAS Name: 4-(phenylmethyl)-8-triazolo[1,5-a]pyrazin-8-iumcarboxylic acid
IUPAC NAME: 4-benzyltriazolo[1,5-a]pyrazin-8-ium-8-carboxylic acid
SYSTEMATIC NAME: 4-(phenylmethyl)-[1,2,3]triazolo[1,5-a]pyrazin-8-ium-8-carboxylic acid
MOLECULAR FORMULA: C13H11N4O2+
MOLECULAR WEIGHT: 255.25204
SMILES: C1=CC=C(C=C1)CC2=NC=C[N+]3(C2=CN=N3)C(=O)O
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Product OPENEYE NAME: 2-[(4-nitrophenyl)methoxycarbonylamino]-2-phenyl-acetic acid
CAS Name: 2-[[(4-nitrophenyl)methoxy-oxomethyl]amino]-2-phenylacetic acid
IUPAC NAME: 2-[(4-nitrophenyl)methoxycarbonylamino]-2-phenylacetic acid
SYSTEMATIC NAME: 2-[(4-nitrophenyl)methoxycarbonylamino]-2-phenyl-ethanoic acid
MOLECULAR FORMULA: C16H14N2O6
MOLECULAR WEIGHT: 330.29216
SMILES: C1=CC=C(C=C1)C(C(=O)O)NC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]
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Product OPENEYE NAME: ethyl 2-[4-[3-azido-2-oxo-4-(2-trimethylsilylethynyl)azetidin-1-yl]-4-ethyl-1,3-dioxetan-2-yl]acetate
CAS Name: 2-[4-[3-azido-2-oxo-4-(2-trimethylsilylethynyl)-1-azetidinyl]-4-ethyl-1,3-dioxetan-2-yl]acetic acid ethyl ester
IUPAC NAME: ethyl 2-[4-[3-azido-2-oxo-4-(2-trimethylsilylethynyl)azetidin-1-yl]-4-ethyl-1,3-dioxetan-2-yl]acetate
SYSTEMATIC NAME: ethyl 2-[4-[3-azido-2-oxidanylidene-4-(2-trimethylsilylethynyl)azetidin-1-yl]-4-ethyl-1,3-dioxetan-2-yl]ethanoate
MOLECULAR FORMULA: C16H24N4O5Si
MOLECULAR WEIGHT: 380.47106
SMILES: CCC1(OC(O1)CC(=O)OCC)N2C(C(C2=O)N=[N+]=[N-])C#C[Si](C)(C)C
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Product OPENEYE NAME: benzyl 4-amino-3-oxo-butanoate; ethylene
CAS Name: 4-amino-3-oxobutanoic acid (phenylmethyl) ester; ethene
IUPAC NAME: benzyl 4-amino-3-oxobutanoate; ethene
SYSTEMATIC NAME: ethene; (phenylmethyl) 4-azanyl-3-oxidanylidene-butanoate
MOLECULAR FORMULA: C13H17NO3
MOLECULAR WEIGHT: 235.27898
SMILES: C=C.C1=CC=C(C=C1)COC(=O)CC(=O)CN
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Product OPENEYE NAME: benzyl 4-amino-3-oxo-butanoate
CAS Name: 4-amino-3-oxobutanoic acid (phenylmethyl) ester
IUPAC NAME: benzyl 4-amino-3-oxobutanoate
SYSTEMATIC NAME: (phenylmethyl) 4-azanyl-3-oxidanylidene-butanoate
MOLECULAR FORMULA: C11H13NO3
MOLECULAR WEIGHT: 207.22582
SMILES: C1=CC=C(C=C1)COC(=O)CC(=O)CN
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Product OPENEYE NAME: ethyl 4-amino-3-oxo-butanoate; ethylene
CAS Name: 4-amino-3-oxobutanoic acid ethyl ester; ethene
IUPAC NAME: ethene; ethyl 4-amino-3-oxobutanoate
SYSTEMATIC NAME: ethene; ethyl 4-azanyl-3-oxidanylidene-butanoate
MOLECULAR FORMULA: C8H15NO3
MOLECULAR WEIGHT: 173.2096
SMILES: CCOC(=O)CC(=O)CN.C=C
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Product OPENEYE NAME: 3-(2-aminophenyl)-6-chloro-7-[(E)-2-(3-pyridyl)vinyl]thiazolo[3,2-a]pyrimidin-5-one
CAS Name: 3-(2-aminophenyl)-6-chloro-7-[(E)-2-(3-pyridinyl)ethenyl]-5-thiazolo[3,2-a]pyrimidinone
IUPAC NAME: 3-(2-aminophenyl)-6-chloro-7-[(E)-2-pyridin-3-ylethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SYSTEMATIC NAME: 3-(2-aminophenyl)-6-chloranyl-7-[(E)-2-pyridin-3-ylethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
MOLECULAR FORMULA: C19H13ClN4OS
MOLECULAR WEIGHT: 380.85072
SMILES: C1=CC=C(C(=C1)C2=CSC3=NC(=C(C(=O)N23)Cl)/C=C/C4=CN=CC=C4)N
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Product OPENEYE NAME: 6-methoxy-7-[(E)-2-(6-methyl-2-pyridyl)vinyl]thiazolo[3,2-a]pyrimidin-5-one
CAS Name: 6-methoxy-7-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]-5-thiazolo[3,2-a]pyrimidinone
IUPAC NAME: 6-methoxy-7-[(E)-2-(6-methylpyridin-2-yl)ethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SYSTEMATIC NAME: 6-methoxy-7-[(E)-2-(6-methylpyridin-2-yl)ethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
MOLECULAR FORMULA: C15H13N3O2S
MOLECULAR WEIGHT: 299.34762
SMILES: CC1=CC=CC(=N1)/C=C/C2=C(C(=O)N3C=CSC3=N2)OC
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Product OPENEYE NAME: 3-(4-chlorophenyl)-6-methoxy-7-[(E)-2-(3-pyridyl)vinyl]thiazolo[3,2-a]pyrimidin-5-one
CAS Name: 3-(4-chlorophenyl)-6-methoxy-7-[(E)-2-(3-pyridinyl)ethenyl]-5-thiazolo[3,2-a]pyrimidinone
IUPAC NAME: 3-(4-chlorophenyl)-6-methoxy-7-[(E)-2-pyridin-3-ylethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SYSTEMATIC NAME: 3-(4-chlorophenyl)-6-methoxy-7-[(E)-2-pyridin-3-ylethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
MOLECULAR FORMULA: C20H14ClN3O2S
MOLECULAR WEIGHT: 395.86206
SMILES: COC1=C(N=C2N(C1=O)C(=CS2)C3=CC=C(C=C3)Cl)/C=C/C4=CN=CC=C4
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