Product OPENEYE NAME: 4-carbamoyl-2,6-diiodo-phenolate
CAS Name: 4-carbamoyl-2,6-diiodophenolate
IUPAC NAME: 4-carbamoyl-2,6-diiodophenolate
SYSTEMATIC NAME: 4-aminocarbonyl-2,6-bis(iodanyl)phenolate
MOLECULAR FORMULA: C7H4I2NO2-
MOLECULAR WEIGHT: 387.9211
SMILES: C1=C(C=C(C(=C1I)[O-])I)C(=O)N
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Product OPENEYE NAME: 4-carbamoyl-2,6-dichloro-3-hydroxy-phenolate
CAS Name: 4-carbamoyl-2,6-dichloro-3-hydroxyphenolate
IUPAC NAME: 4-carbamoyl-2,6-dichloro-3-hydroxyphenolate
SYSTEMATIC NAME: 4-aminocarbonyl-2,6-bis(chloranyl)-3-oxidanyl-phenolate
MOLECULAR FORMULA: C7H4Cl2NO3-
MOLECULAR WEIGHT: 221.01756
SMILES: C1=C(C(=C(C(=C1Cl)[O-])Cl)O)C(=O)N
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Product OPENEYE NAME: 3,5-dichloro-2,4-dihydroxy-benzamide
CAS Name: 3,5-dichloro-2,4-dihydroxybenzamide
IUPAC NAME: 3,5-dichloro-2,4-dihydroxybenzamide
SYSTEMATIC NAME: 3,5-bis(chloranyl)-2,4-bis(oxidanyl)benzamide
MOLECULAR FORMULA: C7H5Cl2NO3
MOLECULAR WEIGHT: 222.0255
SMILES: C1=C(C(=C(C(=C1Cl)O)Cl)O)C(=O)N
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Product OPENEYE NAME: 2-amino-5-[[(4-iodophenyl)methylamino]methyl]pyrrolo[2,3-d]pyrimidin-4-one
CAS Name: 2-amino-5-[[(4-iodophenyl)methylamino]methyl]-4-pyrrolo[2,3-d]pyrimidinone
IUPAC NAME: 2-amino-5-[[(4-iodophenyl)methylamino]methyl]pyrrolo[2,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 2-azanyl-5-[[(4-iodophenyl)methylamino]methyl]pyrrolo[2,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C14H12IN5O
MOLECULAR WEIGHT: 393.18245
SMILES: C1=CC(=CC=C1CNCC2=C3C(=NC(=NC3=O)N)N=C2)I
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Product OPENEYE NAME: 4-carbamoyl-2-iodo-phenolate
CAS Name: 4-carbamoyl-2-iodophenolate
IUPAC NAME: 4-carbamoyl-2-iodophenolate
SYSTEMATIC NAME: 4-aminocarbonyl-2-iodanyl-phenolate
MOLECULAR FORMULA: C7H5INO2-
MOLECULAR WEIGHT: 262.02457
SMILES: C1=CC(=C(C=C1C(=O)N)I)[O-]
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Product OPENEYE NAME: tert-butyl 2-(4-benzyloxyphenyl)acetate
CAS Name: 2-(4-phenylmethoxyphenyl)acetic acid tert-butyl ester
IUPAC NAME: tert-butyl 2-(4-phenylmethoxyphenyl)acetate
SYSTEMATIC NAME: tert-butyl 2-(4-phenylmethoxyphenyl)ethanoate
MOLECULAR FORMULA: C19H22O3
MOLECULAR WEIGHT: 298.37618
SMILES: CC(C)(C)OC(=O)CC1=CC=C(C=C1)OCC2=CC=CC=C2
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Product OPENEYE NAME: N-[2-[(2-amino-1-benzyl-2-oxo-ethyl)-propyl-amino]-2-oxo-ethyl]-5-benzyl-6-oxo-piperazine-2-carboxamide
CAS Name: N-[2-[(1-amino-1-oxo-3-phenylpropan-2-yl)-propylamino]-2-oxoethyl]-6-oxo-5-(phenylmethyl)-2-piperazinecarboxamide
IUPAC NAME: N-[2-[(1-amino-1-oxo-3-phenylpropan-2-yl)-propylamino]-2-oxoethyl]-5-benzyl-6-oxopiperazine-2-carboxamide
SYSTEMATIC NAME: N-[2-[(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)-propyl-amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-5-(phenylmethyl)piperazine-2-carboxamide
MOLECULAR FORMULA: C26H33N5O4
MOLECULAR WEIGHT: 479.57132
SMILES: CCCN(C(CC1=CC=CC=C1)C(=O)N)C(=O)CNC(=O)C2CNC(C(=O)N2)CC3=CC=CC=C3
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Product OPENEYE NAME: 2-[3-[(4-fluorophenyl)methyl]-2-oxo-piperazin-1-yl]acetic acid
CAS Name: 2-[3-[(4-fluorophenyl)methyl]-2-oxo-1-piperazinyl]acetic acid
IUPAC NAME: 2-[3-[(4-fluorophenyl)methyl]-2-oxopiperazin-1-yl]acetic acid
SYSTEMATIC NAME: 2-[3-[(4-fluorophenyl)methyl]-2-oxidanylidene-piperazin-1-yl]ethanoic acid
MOLECULAR FORMULA: C13H15FN2O3
MOLECULAR WEIGHT: 266.268203
SMILES: C1CN(C(=O)C(N1)CC2=CC=C(C=C2)F)CC(=O)O
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Product OPENEYE NAME: N-ethyl-3-(4-fluorophenyl)-2-[[2-[[2-[3-[(4-fluorophenyl)-hydroxy-methyl]-2-oxo-piperazin-1-yl]acetyl]amino]acetyl]amino]propanamide
CAS Name: N-ethyl-3-(4-fluorophenyl)-2-[[2-[[2-[3-[(4-fluorophenyl)-hydroxymethyl]-2-oxo-1-piperazinyl]-1-oxoethyl]amino]-1-oxoethyl]amino]propanamide
IUPAC NAME: N-ethyl-3-(4-fluorophenyl)-2-[[2-[[2-[3-[(4-fluorophenyl)-hydroxymethyl]-2-oxopiperazin-1-yl]acetyl]amino]acetyl]amino]propanamide
SYSTEMATIC NAME: N-ethyl-3-(4-fluorophenyl)-2-[2-[2-[3-[(4-fluorophenyl)-oxidanyl-methyl]-2-oxidanylidene-piperazin-1-yl]ethanoylamino]ethanoylamino]propanamide
MOLECULAR FORMULA: C26H31F2N5O5
MOLECULAR WEIGHT: 531.551646
SMILES: CCNC(=O)C(CC1=CC=C(C=C1)F)NC(=O)CNC(=O)CN2CCNC(C2=O)C(C3=CC=C(C=C3)F)O
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Product OPENEYE NAME: 2-(3-hydroxyphenyl)-2-methyl-3,4,4a,5,6,7-hexahydro-1H-isoquinolin-2-ium-1-ol
CAS Name: 2-(3-hydroxyphenyl)-2-methyl-3,4,4a,5,6,7-hexahydro-1H-isoquinolin-2-ium-1-ol
IUPAC NAME: 2-(3-hydroxyphenyl)-2-methyl-3,4,4a,5,6,7-hexahydro-1H-isoquinolin-2-ium-1-ol
SYSTEMATIC NAME: 2-(3-hydroxyphenyl)-2-methyl-3,4,4a,5,6,7-hexahydro-1H-isoquinolin-2-ium-1-ol
MOLECULAR FORMULA: C16H22NO2+
MOLECULAR WEIGHT: 260.35138
SMILES: C[N+]1(CCC2CCCC=C2C1O)C3=CC(=CC=C3)O
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Product OPENEYE NAME: 4a-(3-hydroxyphenyl)-2-methyl-1,3,4,5,6,7-hexahydroisoquinolin-1-ol
CAS Name: 4a-(3-hydroxyphenyl)-2-methyl-1,3,4,5,6,7-hexahydroisoquinolin-1-ol
IUPAC NAME: 4a-(3-hydroxyphenyl)-2-methyl-1,3,4,5,6,7-hexahydroisoquinolin-1-ol
SYSTEMATIC NAME: 4a-(3-hydroxyphenyl)-2-methyl-1,3,4,5,6,7-hexahydroisoquinolin-1-ol
MOLECULAR FORMULA: C16H21NO2
MOLECULAR WEIGHT: 259.34344
SMILES: CN1CCC2(CCCC=C2C1O)C3=CC(=CC=C3)O
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Product OPENEYE NAME: 2,3,4,4a,5,7,8,8a-octahydroisoquinoline-1,6-dione
CAS Name: 2,3,4,4a,5,7,8,8a-octahydroisoquinoline-1,6-dione
IUPAC NAME: 2,3,4,4a,5,7,8,8a-octahydroisoquinoline-1,6-dione
SYSTEMATIC NAME: 2,3,4,4a,5,7,8,8a-octahydroisoquinoline-1,6-dione
MOLECULAR FORMULA: C9H13NO2
MOLECULAR WEIGHT: 167.20502
SMILES: C1CC(=O)CC2C1C(=O)NCC2
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Product OPENEYE NAME: ethyl N-[4-(3-methoxyphenyl)-6-oxo-3-piperidyl]carbamate
CAS Name: N-[4-(3-methoxyphenyl)-6-oxo-3-piperidinyl]carbamic acid ethyl ester
IUPAC NAME: ethyl N-[4-(3-methoxyphenyl)-6-oxopiperidin-3-yl]carbamate
SYSTEMATIC NAME: ethyl N-[4-(3-methoxyphenyl)-6-oxidanylidene-piperidin-3-yl]carbamate
MOLECULAR FORMULA: C15H20N2O4
MOLECULAR WEIGHT: 292.3303
SMILES: CCOC(=O)NC1CNC(=O)CC1C2=CC(=CC=C2)OC
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Product OPENEYE NAME: 4a-(3-methoxyphenyl)-2-methyl-1,3,4,5,6,7-hexahydroisoquinolin-1-ol
CAS Name: 4a-(3-methoxyphenyl)-2-methyl-1,3,4,5,6,7-hexahydroisoquinolin-1-ol
IUPAC NAME: 4a-(3-methoxyphenyl)-2-methyl-1,3,4,5,6,7-hexahydroisoquinolin-1-ol
SYSTEMATIC NAME: 4a-(3-methoxyphenyl)-2-methyl-1,3,4,5,6,7-hexahydroisoquinolin-1-ol
MOLECULAR FORMULA: C17H23NO2
MOLECULAR WEIGHT: 273.37002
SMILES: CN1CCC2(CCCC=C2C1O)C3=CC(=CC=C3)OC
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Product OPENEYE NAME: 4-(3-methoxyphenyl)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-6-ol
CAS Name: 4-(3-methoxyphenyl)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-6-ol
IUPAC NAME: 4-(3-methoxyphenyl)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-6-ol
SYSTEMATIC NAME: 4-(3-methoxyphenyl)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-6-ol
MOLECULAR FORMULA: C17H25NO2
MOLECULAR WEIGHT: 275.3859
SMILES: CN1CC2CCC(CC2C(C1)C3=CC(=CC=C3)OC)O
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Product OPENEYE NAME: 1-(3-methoxyphenyl)-2-methyl-3,4,4a,5,6,7-hexahydro-1H-isoquinolin-3-ol
CAS Name: 1-(3-methoxyphenyl)-2-methyl-3,4,4a,5,6,7-hexahydro-1H-isoquinolin-3-ol
IUPAC NAME: 1-(3-methoxyphenyl)-2-methyl-3,4,4a,5,6,7-hexahydro-1H-isoquinolin-3-ol
SYSTEMATIC NAME: 1-(3-methoxyphenyl)-2-methyl-3,4,4a,5,6,7-hexahydro-1H-isoquinolin-3-ol
MOLECULAR FORMULA: C17H23NO2
MOLECULAR WEIGHT: 273.37002
SMILES: CN1C(CC2CCCC=C2C1C3=CC(=CC=C3)OC)O
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Product OPENEYE NAME: 4-(3-methoxyphenyl)-1,3-dimethyl-pyridin-2-one
CAS Name: 4-(3-methoxyphenyl)-1,3-dimethyl-2-pyridinone
IUPAC NAME: 4-(3-methoxyphenyl)-1,3-dimethylpyridin-2-one
SYSTEMATIC NAME: 4-(3-methoxyphenyl)-1,3-dimethyl-pyridin-2-one
MOLECULAR FORMULA: C14H15NO2
MOLECULAR WEIGHT: 229.2744
SMILES: CC1=C(C=CN(C1=O)C)C2=CC(=CC=C2)OC
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Product OPENEYE NAME: 1-(3-methyl-2-thienyl)-4H-pyridine
CAS Name: 1-(3-methyl-2-thiophenyl)-4H-pyridine
IUPAC NAME: 1-(3-methylthiophen-2-yl)-4H-pyridine
SYSTEMATIC NAME: 1-(3-methylthiophen-2-yl)-4H-pyridine
MOLECULAR FORMULA: C10H11NS
MOLECULAR WEIGHT: 177.26604
SMILES: CC1=C(SC=C1)N2C=CCC=C2
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Product OPENEYE NAME: 2-bis(methylsulfanyl)phosphinothioyl-2-phenyl-acetic acid
CAS Name: 2-bis(methylthio)phosphinothioyl-2-phenylacetic acid
IUPAC NAME: 2-bis(methylsulfanyl)phosphinothioyl-2-phenylacetic acid
SYSTEMATIC NAME: 2-bis(methylsulfanyl)phosphinothioyl-2-phenyl-ethanoic acid
MOLECULAR FORMULA: C10H13O2PS3
MOLECULAR WEIGHT: 292.377781
SMILES: CSP(=S)(C(C1=CC=CC=C1)C(=O)O)SC
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Product OPENEYE NAME: 6-fluorospiro[chromane-4,4'-imidazolidine]
CAS Name: 6-fluorospiro[3,4-dihydro-2H-1-benzopyran-4,4'-imidazolidine]
IUPAC NAME: 6-fluorospiro[2,3-dihydrochromene-4,4'-imidazolidine]
SYSTEMATIC NAME: 6-fluoranylspiro[2,3-dihydrochromene-4,4'-imidazolidine]
MOLECULAR FORMULA: C11H13FN2O
MOLECULAR WEIGHT: 208.232123
SMILES: C1COC2=C(C13CNCN3)C=C(C=C2)F
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Product OPENEYE NAME: tert-butyl (E)-2-chloro-4-[3,4-dihydroxy-5-[[3-(2-hydroxy-1-methyl-propyl)oxiran-2-yl]methyl]tetrahydropyran-2-yl]-3-methyl-but-2-enoate
CAS Name: (E)-2-chloro-4-[3,4-dihydroxy-5-[[3-(3-hydroxybutan-2-yl)-2-oxiranyl]methyl]-2-oxanyl]-3-methyl-2-butenoic acid tert-butyl ester
IUPAC NAME: tert-butyl (E)-2-chloro-4-[3,4-dihydroxy-5-[[3-(3-hydroxybutan-2-yl)oxiran-2-yl]methyl]oxan-2-yl]-3-methylbut-2-enoate
SYSTEMATIC NAME: tert-butyl (E)-4-[3,4-bis(oxidanyl)-5-[[3-(3-oxidanylbutan-2-yl)oxiran-2-yl]methyl]oxan-2-yl]-2-chloranyl-3-methyl-but-2-enoate
MOLECULAR FORMULA: C21H35ClO7
MOLECULAR WEIGHT: 434.9514
SMILES: CC(C1C(O1)CC2COC(C(C2O)O)C/C(=C(\C(=O)OC(C)(C)C)/Cl)/C)C(C)O
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