Product OPENEYE NAME: ethyl N-methyl-N-(3-methylbut-2-enyl)carbamate
CAS Name: N-methyl-N-(3-methylbut-2-enyl)carbamic acid ethyl ester
IUPAC NAME: ethyl N-methyl-N-(3-methylbut-2-enyl)carbamate
SYSTEMATIC NAME: ethyl N-methyl-N-(3-methylbut-2-enyl)carbamate
MOLECULAR FORMULA: C9H17NO2
MOLECULAR WEIGHT: 171.23678
SMILES: CCOC(=O)N(C)CC=C(C)C
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Product OPENEYE NAME: ethyl N-(3-methylbut-2-enyl)carbamate
CAS Name: N-(3-methylbut-2-enyl)carbamic acid ethyl ester
IUPAC NAME: ethyl N-(3-methylbut-2-enyl)carbamate
SYSTEMATIC NAME: ethyl N-(3-methylbut-2-enyl)carbamate
MOLECULAR FORMULA: C8H15NO2
MOLECULAR WEIGHT: 157.2102
SMILES: CCOC(=O)NCC=C(C)C
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Product OPENEYE NAME: 5-bromo-6,6-dimethyl-1,3-oxazinan-2-one
CAS Name: 5-bromo-6,6-dimethyl-1,3-oxazinan-2-one
IUPAC NAME: 5-bromo-6,6-dimethyl-1,3-oxazinan-2-one
SYSTEMATIC NAME: 5-bromanyl-6,6-dimethyl-1,3-oxazinan-2-one
MOLECULAR FORMULA: C6H10BrNO2
MOLECULAR WEIGHT: 208.0531
SMILES: CC1(C(CNC(=O)O1)Br)C
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Product OPENEYE NAME: 5-oxidothieno[3,4-c]quinolin-5-ium
CAS Name: 5-oxidothieno[3,4-c]quinolin-5-ium
IUPAC NAME: 5-oxidothieno[3,4-c]quinolin-5-ium
SYSTEMATIC NAME: 5-oxidanidylthieno[3,4-c]quinolin-5-ium
MOLECULAR FORMULA: C11H7NOS
MOLECULAR WEIGHT: 201.24438
SMILES: C1=CC=C2C(=C1)C3=CSC=C3C=[N+]2[O-]
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Product OPENEYE NAME: 4-oxidothieno[3,4-c]isoquinolin-4-ium
CAS Name: 4-oxidothieno[3,4-c]isoquinolin-4-ium
IUPAC NAME: 4-oxidothieno[3,4-c]isoquinolin-4-ium
SYSTEMATIC NAME: 4-oxidanidylthieno[3,4-c]isoquinolin-4-ium
MOLECULAR FORMULA: C11H7NOS
MOLECULAR WEIGHT: 201.24438
SMILES: C1=CC=C2C(=C1)C=[N+](C3=CSC=C23)[O-]
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Product OPENEYE NAME: phenyl(bis-p-tolyl)bismuthane
CAS Name: bis(4-methylphenyl)-phenylbismuthine
IUPAC NAME: bis(4-methylphenyl)-phenylbismuthane
SYSTEMATIC NAME: bis(4-methylphenyl)-phenyl-bismuthane
MOLECULAR FORMULA: C20H19Bi
MOLECULAR WEIGHT: 468.34524
SMILES: CC1=CC=C(C=C1)[Bi](C2=CC=CC=C2)C3=CC=C(C=C3)C
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Product OPENEYE NAME: 1-(p-tolyl)naphthalen-2-ol
CAS Name: 1-(4-methylphenyl)-2-naphthalenol
IUPAC NAME: 1-(4-methylphenyl)naphthalen-2-ol
SYSTEMATIC NAME: 1-(4-methylphenyl)naphthalen-2-ol
MOLECULAR FORMULA: C17H14O
MOLECULAR WEIGHT: 234.29246
SMILES: CC1=CC=C(C=C1)C2=C(C=CC3=CC=CC=C32)O
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Product OPENEYE NAME: 1-(4-methoxyphenyl)naphthalen-2-ol
CAS Name: 1-(4-methoxyphenyl)-2-naphthalenol
IUPAC NAME: 1-(4-methoxyphenyl)naphthalen-2-ol
SYSTEMATIC NAME: 1-(4-methoxyphenyl)naphthalen-2-ol
MOLECULAR FORMULA: C17H14O2
MOLECULAR WEIGHT: 250.29186
SMILES: COC1=CC=C(C=C1)C2=C(C=CC3=CC=CC=C32)O
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Product OPENEYE NAME: 1-(4-nitrophenyl)naphthalen-2-ol
CAS Name: 1-(4-nitrophenyl)-2-naphthalenol
IUPAC NAME: 1-(4-nitrophenyl)naphthalen-2-ol
SYSTEMATIC NAME: 1-(4-nitrophenyl)naphthalen-2-ol
MOLECULAR FORMULA: C16H11NO3
MOLECULAR WEIGHT: 265.26344
SMILES: C1=CC=C2C(=C1)C=CC(=C2C3=CC=C(C=C3)[N+](=O)[O-])O
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Product OPENEYE NAME: ethyl 3-(2,6-dichlorophenyl)-3-oxo-propanoate
CAS Name: 3-(2,6-dichlorophenyl)-3-oxopropanoic acid ethyl ester
IUPAC NAME: ethyl 3-(2,6-dichlorophenyl)-3-oxopropanoate
SYSTEMATIC NAME: ethyl 3-[2,6-bis(chloranyl)phenyl]-3-oxidanylidene-propanoate
MOLECULAR FORMULA: C11H10Cl2O3
MOLECULAR WEIGHT: 261.1013
SMILES: CCOC(=O)CC(=O)C1=C(C=CC=C1Cl)Cl
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Product OPENEYE NAME: 10-phenylindeno[1,2-b]quinolin-11-one
CAS Name: 10-phenyl-11-indeno[1,2-b]quinolinone
IUPAC NAME: 10-phenylindeno[1,2-b]quinolin-11-one
SYSTEMATIC NAME: 10-phenylindeno[1,2-b]quinolin-11-one
MOLECULAR FORMULA: C22H13NO
MOLECULAR WEIGHT: 307.34472
SMILES: C1=CC=C(C=C1)C2=C3C(=NC4=CC=CC=C42)C5=CC=CC=C5C3=O
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Product OPENEYE NAME: 4-hydroxy-3,4-dimethyl-2,5-diphenyl-cyclopent-2-en-1-one
CAS Name: 4-hydroxy-3,4-dimethyl-2,5-diphenyl-1-cyclopent-2-enone
IUPAC NAME: 4-hydroxy-3,4-dimethyl-2,5-diphenylcyclopent-2-en-1-one
SYSTEMATIC NAME: 3,4-dimethyl-4-oxidanyl-2,5-diphenyl-cyclopent-2-en-1-one
MOLECULAR FORMULA: C19H18O2
MOLECULAR WEIGHT: 278.34502
SMILES: CC1=C(C(=O)C(C1(C)O)C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 2,2,5,5-tetramethylthiophene 1,1-dioxide
CAS Name: 2,2,5,5-tetramethylthiophene 1,1-dioxide
IUPAC NAME: 2,2,5,5-tetramethylthiophene 1,1-dioxide
SYSTEMATIC NAME: 2,2,5,5-tetramethylthiophene 1,1-dioxide
MOLECULAR FORMULA: C8H14O2S
MOLECULAR WEIGHT: 174.26056
SMILES: CC1(C=CC(S1(=O)=O)(C)C)C
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Product OPENEYE NAME: 1-tetrahydropyran-2-ylpropan-2-one
CAS Name: 1-(2-oxanyl)-2-propanone
IUPAC NAME: 1-(oxan-2-yl)propan-2-one
SYSTEMATIC NAME: 1-(oxan-2-yl)propan-2-one
MOLECULAR FORMULA: C8H14O2
MOLECULAR WEIGHT: 142.19556
SMILES: CC(=O)CC1CCCCO1
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Product OPENEYE NAME: (3Z)-3,6-dimethyl-5,6,7,8-tetrahydro-2H-oxonin-9-one
CAS Name: (3Z)-3,6-dimethyl-5,6,7,8-tetrahydro-2H-oxonin-9-one
IUPAC NAME: (3Z)-3,6-dimethyl-5,6,7,8-tetrahydro-2H-oxonin-9-one
SYSTEMATIC NAME: (3Z)-3,6-dimethyl-5,6,7,8-tetrahydro-2H-oxonin-9-one
MOLECULAR FORMULA: C10H16O2
MOLECULAR WEIGHT: 168.23284
SMILES: CC1CCC(=O)OC/C(=C\C1)/C
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Product OPENEYE NAME: (5E)-undeca-1,5-dien-3-ol
CAS Name: (5E)-3-undeca-1,5-dienol
IUPAC NAME: (5E)-undeca-1,5-dien-3-ol
SYSTEMATIC NAME: (5E)-undeca-1,5-dien-3-ol
MOLECULAR FORMULA: C11H20O
MOLECULAR WEIGHT: 168.2759
SMILES: CCCCC/C=C/CC(C=C)O
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Product OPENEYE NAME: ethyl (4E,7Z)-trideca-4,7-dienoate
CAS Name: (4E,7Z)-trideca-4,7-dienoic acid ethyl ester
IUPAC NAME: ethyl (4E,7Z)-trideca-4,7-dienoate
SYSTEMATIC NAME: ethyl (4E,7Z)-trideca-4,7-dienoate
MOLECULAR FORMULA: C15H26O2
MOLECULAR WEIGHT: 238.36574
SMILES: CCCCC/C=C\C/C=C/CCC(=O)OCC
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Product OPENEYE NAME: 5-[(S)-p-tolylsulfinyl]-2,3-dihydropyran-6-one
CAS Name: 5-[(S)-(4-methylphenyl)sulfinyl]-2,3-dihydropyran-6-one
IUPAC NAME: 5-[(S)-(4-methylphenyl)sulfinyl]-2,3-dihydropyran-6-one
SYSTEMATIC NAME: 5-[(S)-(4-methylphenyl)sulfinyl]-2,3-dihydropyran-6-one
MOLECULAR FORMULA: C12H12O3S
MOLECULAR WEIGHT: 236.28688
SMILES: CC1=CC=C(C=C1)[S@](=O)C2=CCCOC2=O
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Product OPENEYE NAME: 2-methoxyethoxymethyl acetate
CAS Name: acetic acid 2-methoxyethoxymethyl ester
IUPAC NAME: 2-methoxyethoxymethyl acetate
SYSTEMATIC NAME: 2-methoxyethoxymethyl ethanoate
MOLECULAR FORMULA: C6H12O4
MOLECULAR WEIGHT: 148.15708
SMILES: CC(=O)OCOCCOC
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Product OPENEYE NAME: 5-tert-butoxy-3-methyl-5-oxo-pentanoic acid
CAS Name: 3-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
IUPAC NAME: 3-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
SYSTEMATIC NAME: 3-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C10H18O4
MOLECULAR WEIGHT: 202.24752
SMILES: CC(CC(=O)O)CC(=O)OC(C)(C)C
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Product OPENEYE NAME: 2,4,6-trimethylcyclohexane-1,3,5-triol
CAS Name: 2,4,6-trimethylcyclohexane-1,3,5-triol
IUPAC NAME: 2,4,6-trimethylcyclohexane-1,3,5-triol
SYSTEMATIC NAME: 2,4,6-trimethylcyclohexane-1,3,5-triol
MOLECULAR FORMULA: C9H18O3
MOLECULAR WEIGHT: 174.23742
SMILES: CC1C(C(C(C(C1O)C)O)C)O
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Product OPENEYE NAME: 2-(benzenesulfonyl)-3-phenyl-1-azabicyclo[1.1.0]butane
CAS Name: 2-(benzenesulfonyl)-3-phenyl-1-azabicyclo[1.1.0]butane
IUPAC NAME: 2-(benzenesulfonyl)-3-phenyl-1-azabicyclo[1.1.0]butane
SYSTEMATIC NAME: 3-phenyl-2-(phenylsulfonyl)-1-azabicyclo[1.1.0]butane
MOLECULAR FORMULA: C15H13NO2S
MOLECULAR WEIGHT: 271.33422
SMILES: C1C2(N1C2S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: dimethyl 3-methylsulfanyl-1,2,4-triazine-5,6-dicarboxylate
CAS Name: 3-(methylthio)-1,2,4-triazine-5,6-dicarboxylic acid dimethyl ester
IUPAC NAME: dimethyl 3-methylsulfanyl-1,2,4-triazine-5,6-dicarboxylate
SYSTEMATIC NAME: dimethyl 3-methylsulfanyl-1,2,4-triazine-5,6-dicarboxylate
MOLECULAR FORMULA: C8H9N3O4S
MOLECULAR WEIGHT: 243.23976
SMILES: COC(=O)C1=C(N=NC(=N1)SC)C(=O)OC
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Product OPENEYE NAME: dimethyl 6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine-2,3-dicarboxylate
CAS Name: 6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine-2,3-dicarboxylic acid dimethyl ester
IUPAC NAME: dimethyl 6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine-2,3-dicarboxylate
SYSTEMATIC NAME: dimethyl 6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine-2,3-dicarboxylate
MOLECULAR FORMULA: C13H16N2O4
MOLECULAR WEIGHT: 264.27714
SMILES: COC(=O)C1=CC2=C(NCCCC2)N=C1C(=O)OC
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