Product OPENEYE NAME: methyl 1-[(1S)-1-methyl-2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]piperidine-4-carboxylate
MOLECULAR FORMULA: C19H24N2O3
MOLECULAR WEIGHT: 328.40546
SMILES: CC1=C(C2=CC=CC=C2N1)C(=O)[C@H](C)N3CCC(CC3)C(=O)OC
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Product OPENEYE NAME: methyl 1-[2-(4-bromoanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-(4-bromoanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(4-bromoanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C15H20BrN2O3+
MOLECULAR WEIGHT: 356.2349
SMILES: COC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)Br
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Product OPENEYE NAME: methyl 1-[2-(4-bromoanilino)-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-(4-bromoanilino)-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(4-bromoanilino)-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C15H19BrN2O3
MOLECULAR WEIGHT: 355.22696
SMILES: COC(=O)C1CCN(CC1)CC(=O)NC2=CC=C(C=C2)Br
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Product OPENEYE NAME: 3-[2-[4-oxo-3-(p-tolyl)quinazolin-2-yl]sulfanylacetyl]oxazolidin-2-one
CAS Name: 3-[2-[[3-(4-methylphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-2-oxazolidinone
IUPAC NAME: 3-[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 3-[2-[3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C20H17N3O4S
MOLECULAR WEIGHT: 395.43168
SMILES: CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCOC4=O
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Product OPENEYE NAME: methyl 1-[[2-[2-(4-methylanilino)-2-oxo-ethyl]thiazol-4-yl]methyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[[2-[2-(4-methylanilino)-2-oxoethyl]-4-thiazolyl]methyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[[2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-1,3-thiazol-4-yl]methyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C20H26N3O3S+
MOLECULAR WEIGHT: 388.50374
SMILES: CC1=CC=C(C=C1)NC(=O)CC2=NC(=CS2)C[NH+]3CCC(CC3)C(=O)OC
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Product OPENEYE NAME: methyl 1-[[2-[2-(4-methylanilino)-2-oxo-ethyl]thiazol-4-yl]methyl]piperidine-4-carboxylate
CAS Name: 1-[[2-[2-(4-methylanilino)-2-oxoethyl]-4-thiazolyl]methyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[[2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C20H25N3O3S
MOLECULAR WEIGHT: 387.4958
SMILES: CC1=CC=C(C=C1)NC(=O)CC2=NC(=CS2)CN3CCC(CC3)C(=O)OC
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Product OPENEYE NAME: [5-(2-thienyl)isoxazol-3-yl]methyl (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate
CAS Name: (E)-3-(2,3-dimethoxyphenyl)-2-propenoic acid (5-thiophen-2-yl-3-isoxazolyl)methyl ester
IUPAC NAME: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate
SYSTEMATIC NAME: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate
MOLECULAR FORMULA: C19H17NO5S
MOLECULAR WEIGHT: 371.40698
SMILES: COC1=CC=CC(=C1OC)/C=C/C(=O)OCC2=NOC(=C2)C3=CC=CS3
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Product OPENEYE NAME: [2-(2,4-difluoroanilino)-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-(2,4-difluoroanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(2,4-difluoroanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[[2,4-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C18H13F2NO4
MOLECULAR WEIGHT: 345.296926
SMILES: C1C(=CC2=CC=CC=C2O1)C(=O)OCC(=O)NC3=C(C=C(C=C3)F)F
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Product OPENEYE NAME: ethyl (4R)-4-ethyl-6-[(4-methoxycarbonylpiperidin-1-ium-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CAS Name: (4R)-4-ethyl-6-[(4-methoxycarbonyl-1-piperidin-1-iumyl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester
IUPAC NAME: ethyl (4R)-4-ethyl-6-[(4-methoxycarbonylpiperidin-1-ium-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SYSTEMATIC NAME: ethyl (4R)-4-ethyl-6-[(4-methoxycarbonylpiperidin-1-ium-1-yl)methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
MOLECULAR FORMULA: C17H28N3O5+
MOLECULAR WEIGHT: 354.42132
SMILES: CC[C@@H]1C(=C(NC(=O)N1)C[NH+]2CCC(CC2)C(=O)OC)C(=O)OCC
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Product OPENEYE NAME: ethyl (4R)-4-ethyl-6-[(4-methoxycarbonyl-1-piperidyl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CAS Name: (4R)-4-ethyl-6-[(4-methoxycarbonyl-1-piperidinyl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester
IUPAC NAME: ethyl (4R)-4-ethyl-6-[(4-methoxycarbonylpiperidin-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SYSTEMATIC NAME: ethyl (4R)-4-ethyl-6-[(4-methoxycarbonylpiperidin-1-yl)methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
MOLECULAR FORMULA: C17H27N3O5
MOLECULAR WEIGHT: 353.41338
SMILES: CC[C@@H]1C(=C(NC(=O)N1)CN2CCC(CC2)C(=O)OC)C(=O)OCC
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Product OPENEYE NAME: [(1R)-1-methyl-2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate
CAS Name: (E)-3-(2,3-dimethoxyphenyl)-2-propenoic acid [(2R)-1-oxo-1-[(1,3,5-trimethyl-4-pyrazolyl)amino]propan-2-yl] ester
IUPAC NAME: [(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate
SYSTEMATIC NAME: [(2R)-1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate
MOLECULAR FORMULA: C20H25N3O5
MOLECULAR WEIGHT: 387.4296
SMILES: CC1=C(C(=NN1C)C)NC(=O)[C@@H](C)OC(=O)/C=C/C2=C(C(=CC=C2)OC)OC
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Product OPENEYE NAME: ethyl (4S)-4-ethyl-6-[(4-methoxycarbonylpiperidin-1-ium-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CAS Name: (4S)-4-ethyl-6-[(4-methoxycarbonyl-1-piperidin-1-iumyl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester
IUPAC NAME: ethyl (4S)-4-ethyl-6-[(4-methoxycarbonylpiperidin-1-ium-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SYSTEMATIC NAME: ethyl (4S)-4-ethyl-6-[(4-methoxycarbonylpiperidin-1-ium-1-yl)methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
MOLECULAR FORMULA: C17H28N3O5+
MOLECULAR WEIGHT: 354.42132
SMILES: CC[C@H]1C(=C(NC(=O)N1)C[NH+]2CCC(CC2)C(=O)OC)C(=O)OCC
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Product OPENEYE NAME: ethyl (4S)-4-ethyl-6-[(4-methoxycarbonyl-1-piperidyl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CAS Name: (4S)-4-ethyl-6-[(4-methoxycarbonyl-1-piperidinyl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester
IUPAC NAME: ethyl (4S)-4-ethyl-6-[(4-methoxycarbonylpiperidin-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SYSTEMATIC NAME: ethyl (4S)-4-ethyl-6-[(4-methoxycarbonylpiperidin-1-yl)methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
MOLECULAR FORMULA: C17H27N3O5
MOLECULAR WEIGHT: 353.41338
SMILES: CC[C@H]1C(=C(NC(=O)N1)CN2CCC(CC2)C(=O)OC)C(=O)OCC
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Product OPENEYE NAME: [2-(4-methoxyanilino)-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-(4-methoxyanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(4-methoxyanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C19H17NO5
MOLECULAR WEIGHT: 339.34198
SMILES: COC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: [(1S)-1-methyl-2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate
CAS Name: (E)-3-(2,3-dimethoxyphenyl)-2-propenoic acid [(2S)-1-oxo-1-[(1,3,5-trimethyl-4-pyrazolyl)amino]propan-2-yl] ester
IUPAC NAME: [(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate
SYSTEMATIC NAME: [(2S)-1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate
MOLECULAR FORMULA: C20H25N3O5
MOLECULAR WEIGHT: 387.4296
SMILES: CC1=C(C(=NN1C)C)NC(=O)[C@H](C)OC(=O)/C=C/C2=C(C(=CC=C2)OC)OC
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Product OPENEYE NAME: methyl 1-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(4-bromo-2-methylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C16H22BrN2O3+
MOLECULAR WEIGHT: 370.26148
SMILES: CC1=C(C=CC(=C1)Br)NC(=O)C[NH+]2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: methyl 1-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(4-bromo-2-methylanilino)-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C16H21BrN2O3
MOLECULAR WEIGHT: 369.25354
SMILES: CC1=C(C=CC(=C1)Br)NC(=O)CN2CCC(CC2)C(=O)OC
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Product OPENEYE NAME: [2-(2,5-dichloroanilino)-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-(2,5-dichloroanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(2,5-dichloroanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[[2,5-bis(chloranyl)phenyl]amino]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C18H13Cl2NO4
MOLECULAR WEIGHT: 378.20612
SMILES: C1C(=CC2=CC=CC=C2O1)C(=O)OCC(=O)NC3=C(C=CC(=C3)Cl)Cl
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Product OPENEYE NAME: methyl 1-[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C20H27N4O3+
MOLECULAR WEIGHT: 371.45338
SMILES: CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)C[NH+]3CCC(CC3)C(=O)OC
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Product OPENEYE NAME: methyl 1-[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)amino]-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C20H26N4O3
MOLECULAR WEIGHT: 370.44544
SMILES: CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)CN3CCC(CC3)C(=O)OC
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Product OPENEYE NAME: [(1R)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate
CAS Name: (E)-3-(2,3-dimethoxyphenyl)-2-propenoic acid [(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate
SYSTEMATIC NAME: [(2R)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate
MOLECULAR FORMULA: C22H25NO6
MOLECULAR WEIGHT: 399.437
SMILES: CC1=C(NC(=C1C(=O)C)C)C(=O)[C@@H](C)OC(=O)/C=C/C2=C(C(=CC=C2)OC)OC
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Product OPENEYE NAME: [2-[(2-chlorophenyl)methylamino]-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] ester
IUPAC NAME: [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[(2-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C19H16ClNO4
MOLECULAR WEIGHT: 357.78764
SMILES: C1C(=CC2=CC=CC=C2O1)C(=O)OCC(=O)NCC3=CC=CC=C3Cl
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Product OPENEYE NAME: methyl 1-[2-[[2-(2-chloroanilino)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[[2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C18H25ClN3O4+
MOLECULAR WEIGHT: 382.8618
SMILES: CN(CC(=O)NC1=CC=CC=C1Cl)C(=O)C[NH+]2CCC(CC2)C(=O)OC
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