Product OPENEYE NAME: 4-(4-cyclohexylcyclohexyl)benzonitrile
CAS Name: 4-(4-cyclohexylcyclohexyl)benzonitrile
IUPAC NAME: 4-(4-cyclohexylcyclohexyl)benzonitrile
SYSTEMATIC NAME: 4-(4-cyclohexylcyclohexyl)benzenecarbonitrile
MOLECULAR FORMULA: C19H25N
MOLECULAR WEIGHT: 267.4085
SMILES: C1CCC(CC1)C2CCC(CC2)C3=CC=C(C=C3)C#N
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Product OPENEYE NAME: (Z)-2-aminobut-1-en-1-ol
CAS Name: (Z)-2-amino-1-buten-1-ol
IUPAC NAME: (Z)-2-aminobut-1-en-1-ol
SYSTEMATIC NAME: (Z)-2-azanylbut-1-en-1-ol
MOLECULAR FORMULA: C4H9NO
MOLECULAR WEIGHT: 87.12036
SMILES: CC/C(=C/O)/N
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Product OPENEYE NAME: (2-hydroxy-1-methyl-ethyl)urea
CAS Name: 1-hydroxypropan-2-ylurea
IUPAC NAME: 1-hydroxypropan-2-ylurea
SYSTEMATIC NAME: 1-(1-oxidanylpropan-2-yl)urea
MOLECULAR FORMULA: C4H10N2O2
MOLECULAR WEIGHT: 118.1344
SMILES: CC(CO)NC(=O)N
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Product OPENEYE NAME: 2-[ethyl(hydroxy)amino]propan-1-ol
CAS Name: 2-[ethyl(hydroxy)amino]-1-propanol
IUPAC NAME: 2-[ethyl(hydroxy)amino]propan-1-ol
SYSTEMATIC NAME: 2-[ethyl(oxidanyl)amino]propan-1-ol
MOLECULAR FORMULA: C5H13NO2
MOLECULAR WEIGHT: 119.16222
SMILES: CCN(C(C)CO)O
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Product OPENEYE NAME: ethyl-(2-hydroxy-1-methyl-ethyl)cyanamide
CAS Name: ethyl(1-hydroxypropan-2-yl)cyanamide
IUPAC NAME: ethyl(1-hydroxypropan-2-yl)cyanamide
SYSTEMATIC NAME: ethyl(1-oxidanylpropan-2-yl)cyanamide
MOLECULAR FORMULA: C6H12N2O
MOLECULAR WEIGHT: 128.17228
SMILES: CCN(C#N)C(C)CO
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Product OPENEYE NAME: ethyl acetate; propionic acid
CAS Name: acetic acid ethyl ester; propanoic acid
IUPAC NAME: ethyl acetate; propanoic acid
SYSTEMATIC NAME: ethyl ethanoate; propanoic acid
MOLECULAR FORMULA: C7H14O4
MOLECULAR WEIGHT: 162.18366
SMILES: CCC(=O)O.CCOC(=O)C
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Product OPENEYE NAME: 6-ethyl-2,2,5-trimethyl-cyclohexanecarboxylic acid
CAS Name: 6-ethyl-2,2,5-trimethyl-1-cyclohexanecarboxylic acid
IUPAC NAME: 6-ethyl-2,2,5-trimethylcyclohexane-1-carboxylic acid
SYSTEMATIC NAME: 6-ethyl-2,2,5-trimethyl-cyclohexane-1-carboxylic acid
MOLECULAR FORMULA: C12H22O2
MOLECULAR WEIGHT: 198.30188
SMILES: CCC1C(CCC(C1C(=O)O)(C)C)C
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Product OPENEYE NAME: bis(2-hydroxyethyl)ammonium; 2-(1-methylpentadecoxy)hexadecane; sulfate
CAS Name: bis(2-hydroxyethyl)ammonium; 2-hexadecan-2-yloxyhexadecane; sulfate
IUPAC NAME: bis(2-hydroxyethyl)azanium; 2-hexadecan-2-yloxyhexadecane; sulfate
SYSTEMATIC NAME: bis(2-hydroxyethyl)azanium; 2-hexadecan-2-yloxyhexadecane; sulfate
MOLECULAR FORMULA: C36H78NO7S-
MOLECULAR WEIGHT: 669.07202
SMILES: CCCCCCCCCCCCCCC(C)OC(C)CCCCCCCCCCCCCC.C(CO)[NH2+]CCO.[O-]S(=O)(=O)[O-]
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Product OPENEYE NAME: 2-(1-methylpentadecoxy)hexadecane
CAS Name: 2-hexadecan-2-yloxyhexadecane
IUPAC NAME: 2-hexadecan-2-yloxyhexadecane
SYSTEMATIC NAME: 2-hexadecan-2-yloxyhexadecane
MOLECULAR FORMULA: C32H66O
MOLECULAR WEIGHT: 466.86584
SMILES: CCCCCCCCCCCCCCC(C)OC(C)CCCCCCCCCCCCCC
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Product OPENEYE NAME: dodecyl 2-hydroxybenzenesulfonate
CAS Name: 2-hydroxybenzenesulfonic acid dodecyl ester
IUPAC NAME: dodecyl 2-hydroxybenzenesulfonate
SYSTEMATIC NAME: dodecyl 2-oxidanylbenzenesulfonate
MOLECULAR FORMULA: C18H30O4S
MOLECULAR WEIGHT: 342.4934
SMILES: CCCCCCCCCCCCOS(=O)(=O)C1=CC=CC=C1O
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Product OPENEYE NAME: 4-(4,5-dichloro-6-hydroxy-1-methyl-3-oxo-xanthen-9-yl)butanoic acid
CAS Name: 4-(4,5-dichloro-6-hydroxy-1-methyl-3-oxo-9-xanthenyl)butanoic acid
IUPAC NAME: 4-(4,5-dichloro-6-hydroxy-1-methyl-3-oxoxanthen-9-yl)butanoic acid
SYSTEMATIC NAME: 4-[4,5-bis(chloranyl)-1-methyl-6-oxidanyl-3-oxidanylidene-xanthen-9-yl]butanoic acid
MOLECULAR FORMULA: C18H14Cl2O5
MOLECULAR WEIGHT: 381.20676
SMILES: CC1=CC(=O)C(=C2C1=C(C3=C(O2)C(=C(C=C3)O)Cl)CCCC(=O)O)Cl
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Product OPENEYE NAME: benzene-1,3-diol; diphenylmethanone
CAS Name: benzene-1,3-diol; diphenylmethanone
IUPAC NAME: benzene-1,3-diol; diphenylmethanone
SYSTEMATIC NAME: benzene-1,3-diol; diphenylmethanone
MOLECULAR FORMULA: C19H16O3
MOLECULAR WEIGHT: 292.32854
SMILES: C1=CC=C(C=C1)C(=O)C2=CC=CC=C2.C1=CC(=CC(=C1)O)O
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C49H78N12O8
MOLECULAR WEIGHT: 963.21922
SMILES: CCC(C)C1C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)N3CCCC3C(=O)NC(C(=O)N1)CC4=CNC5=CC=CC=C54)CCCN)CCCN)CCCCN)CC(C)C
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Product OPENEYE NAME: tert-butyl N-(2-amino-1-benzyl-2-oxo-ethyl)-N-(2-amino-3-phenyl-propanoyl)carbamate
CAS Name: N-(1-amino-1-oxo-3-phenylpropan-2-yl)-N-(2-amino-1-oxo-3-phenylpropyl)carbamic acid tert-butyl ester
IUPAC NAME: tert-butyl N-(1-amino-1-oxo-3-phenylpropan-2-yl)-N-(2-amino-3-phenylpropanoyl)carbamate
SYSTEMATIC NAME: tert-butyl N-(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)-N-(2-azanyl-3-phenyl-propanoyl)carbamate
MOLECULAR FORMULA: C23H29N3O4
MOLECULAR WEIGHT: 411.49406
SMILES: CC(C)(C)OC(=O)N(C(CC1=CC=CC=C1)C(=O)N)C(=O)C(CC2=CC=CC=C2)N
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Product OPENEYE NAME: 1,4-dioxan-2-ylmethyl 3-(1-naphthylamino)propanoate
CAS Name: 3-(1-naphthalenylamino)propanoic acid 1,4-dioxan-2-ylmethyl ester
IUPAC NAME: 1,4-dioxan-2-ylmethyl 3-(naphthalen-1-ylamino)propanoate
SYSTEMATIC NAME: 1,4-dioxan-2-ylmethyl 3-(naphthalen-1-ylamino)propanoate
MOLECULAR FORMULA: C18H21NO4
MOLECULAR WEIGHT: 315.36364
SMILES: C1COC(CO1)COC(=O)CCNC2=CC=CC3=CC=CC=C32
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Product OPENEYE NAME: methyl 2-(1,4-dioxan-2-yl)-3-(1-naphthylamino)propanoate
CAS Name: 2-(1,4-dioxan-2-yl)-3-(1-naphthalenylamino)propanoic acid methyl ester
IUPAC NAME: methyl 2-(1,4-dioxan-2-yl)-3-(naphthalen-1-ylamino)propanoate
SYSTEMATIC NAME: methyl 2-(1,4-dioxan-2-yl)-3-(naphthalen-1-ylamino)propanoate
MOLECULAR FORMULA: C18H21NO4
MOLECULAR WEIGHT: 315.36364
SMILES: COC(=O)C(CNC1=CC=CC2=CC=CC=C21)C3COCCO3
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Product OPENEYE NAME: 1-[2-[(1-ethoxycarbonyl-3-phenyl-propyl)-methyl-amino]propanoyl]-5-oxo-pyrrolidine-2-carboxylic acid
CAS Name: 1-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)-methylamino]-1-oxopropyl]-5-oxo-2-pyrrolidinecarboxylic acid
IUPAC NAME: 1-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)-methylamino]propanoyl]-5-oxopyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: 1-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)-methyl-amino]propanoyl]-5-oxidanylidene-pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C21H28N2O6
MOLECULAR WEIGHT: 404.45682
SMILES: CCOC(=O)C(CCC1=CC=CC=C1)N(C)C(C)C(=O)N2C(CCC2=O)C(=O)O
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Product OPENEYE NAME: methyl (E)-2-hydroxy-2-methyl-7-[2-[(1E,5E)-octa-1,5-dienyl]-5-trimethylsilyloxy-cyclopentyl]hept-5-enoate
CAS Name: (E)-2-hydroxy-2-methyl-7-[2-[(1E,5E)-octa-1,5-dienyl]-5-trimethylsilyloxycyclopentyl]-5-heptenoic acid methyl ester
IUPAC NAME: methyl (E)-2-hydroxy-2-methyl-7-[2-[(1E,5E)-octa-1,5-dienyl]-5-trimethylsilyloxycyclopentyl]hept-5-enoate
SYSTEMATIC NAME: methyl (E)-2-methyl-7-[2-[(1E,5E)-octa-1,5-dienyl]-5-trimethylsilyloxy-cyclopentyl]-2-oxidanyl-hept-5-enoate
MOLECULAR FORMULA: C25H44O4Si
MOLECULAR WEIGHT: 436.69996
SMILES: CC/C=C/CC/C=C/C1CCC(C1C/C=C/CCC(C)(C(=O)OC)O)O[Si](C)(C)C
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Product OPENEYE NAME: (Z)-1-ethoxy-1,2-dihydroxy-7-(2-octylcyclopentyl)hept-1-en-3-one
CAS Name: (Z)-1-ethoxy-1,2-dihydroxy-7-(2-octylcyclopentyl)-1-hepten-3-one
IUPAC NAME: (Z)-1-ethoxy-1,2-dihydroxy-7-(2-octylcyclopentyl)hept-1-en-3-one
SYSTEMATIC NAME: (Z)-1-ethoxy-7-(2-octylcyclopentyl)-1,2-bis(oxidanyl)hept-1-en-3-one
MOLECULAR FORMULA: C22H40O4
MOLECULAR WEIGHT: 368.5506
SMILES: CCCCCCCCC1CCCC1CCCCC(=O)/C(=C(\O)/OCC)/O
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Product OPENEYE NAME: 6-[2-[(E)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hexanoic acid
CAS Name: 6-[2-[(E)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hexanoic acid
IUPAC NAME: 6-[2-[(E)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hexanoic acid
SYSTEMATIC NAME: 6-[2-oxidanylidene-5-[(E)-3-oxidanyloct-1-enyl]cyclopentyl]hexanoic acid
MOLECULAR FORMULA: C19H32O4
MOLECULAR WEIGHT: 324.45498
SMILES: CCCCCC(/C=C/C1CCC(=O)C1CCCCCC(=O)O)O
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