Product OPENEYE NAME: but-3-enoic acid; cyclohexane
CAS Name: 3-butenoic acid; cyclohexane
IUPAC NAME: but-3-enoic acid; cyclohexane
SYSTEMATIC NAME: but-3-enoic acid; cyclohexane
MOLECULAR FORMULA: C10H18O2
MOLECULAR WEIGHT: 170.24872
SMILES: C=CCC(=O)O.C1CCCCC1
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Product OPENEYE NAME: [4-(1-methylpiperidin-1-ium-1-yl)-3-(2-phenylethyl)-2-pyridyl]methanol
CAS Name: [4-(1-methyl-1-piperidin-1-iumyl)-3-(2-phenylethyl)-2-pyridinyl]methanol
IUPAC NAME: [4-(1-methylpiperidin-1-ium-1-yl)-3-(2-phenylethyl)pyridin-2-yl]methanol
SYSTEMATIC NAME: [4-(1-methylpiperidin-1-ium-1-yl)-3-(2-phenylethyl)pyridin-2-yl]methanol
MOLECULAR FORMULA: C20H27N2O+
MOLECULAR WEIGHT: 311.44118
SMILES: C[N+]1(CCCCC1)C2=C(C(=NC=C2)CO)CCC3=CC=CC=C3
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Product OPENEYE NAME: 4-cyano-4-(3-fluorophenyl)-3-phenyl-butanoic acid
CAS Name: 4-cyano-4-(3-fluorophenyl)-3-phenylbutanoic acid
IUPAC NAME: 4-cyano-4-(3-fluorophenyl)-3-phenylbutanoic acid
SYSTEMATIC NAME: 4-cyano-4-(3-fluorophenyl)-3-phenyl-butanoic acid
MOLECULAR FORMULA: C17H14FNO2
MOLECULAR WEIGHT: 283.296963
SMILES: C1=CC=C(C=C1)C(CC(=O)O)C(C#N)C2=CC(=CC=C2)F
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Product OPENEYE NAME: 2-(2-fluoro-3-pyridyl)butanoate
CAS Name: 2-(2-fluoro-3-pyridinyl)butanoate
IUPAC NAME: 2-(2-fluoropyridin-3-yl)butanoate
SYSTEMATIC NAME: 2-(2-fluoranylpyridin-3-yl)butanoate
MOLECULAR FORMULA: C9H9FNO2-
MOLECULAR WEIGHT: 182.171663
SMILES: CCC(C1=C(N=CC=C1)F)C(=O)[O-]
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Product OPENEYE NAME: 2-(2-fluoro-3-pyridyl)butanoic acid
CAS Name: 2-(2-fluoro-3-pyridinyl)butanoic acid
IUPAC NAME: 2-(2-fluoropyridin-3-yl)butanoic acid
SYSTEMATIC NAME: 2-(2-fluoranylpyridin-3-yl)butanoic acid
MOLECULAR FORMULA: C9H10FNO2
MOLECULAR WEIGHT: 183.179603
SMILES: CCC(C1=C(N=CC=C1)F)C(=O)O
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Product OPENEYE NAME: 2-(4-chlorophenyl)-4-cyano-4-phenyl-butanoic acid
CAS Name: 2-(4-chlorophenyl)-4-cyano-4-phenylbutanoic acid
IUPAC NAME: 2-(4-chlorophenyl)-4-cyano-4-phenylbutanoic acid
SYSTEMATIC NAME: 2-(4-chlorophenyl)-4-cyano-4-phenyl-butanoic acid
MOLECULAR FORMULA: C17H14ClNO2
MOLECULAR WEIGHT: 299.75156
SMILES: C1=CC=C(C=C1)C(CC(C2=CC=C(C=C2)Cl)C(=O)O)C#N
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Product OPENEYE NAME: methyl 4-(3-chloro-4-fluoro-phenyl)-4-cyano-3-phenyl-butanoate
CAS Name: 4-(3-chloro-4-fluorophenyl)-4-cyano-3-phenylbutanoic acid methyl ester
IUPAC NAME: methyl 4-(3-chloro-4-fluorophenyl)-4-cyano-3-phenylbutanoate
SYSTEMATIC NAME: methyl 4-(3-chloranyl-4-fluoranyl-phenyl)-4-cyano-3-phenyl-butanoate
MOLECULAR FORMULA: C18H15ClFNO2
MOLECULAR WEIGHT: 331.768603
SMILES: COC(=O)CC(C1=CC=CC=C1)C(C#N)C2=CC(=C(C=C2)F)Cl
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Product OPENEYE NAME: 2-(2-chlorophenyl)-4-cyano-4-phenyl-butanoic acid
CAS Name: 2-(2-chlorophenyl)-4-cyano-4-phenylbutanoic acid
IUPAC NAME: 2-(2-chlorophenyl)-4-cyano-4-phenylbutanoic acid
SYSTEMATIC NAME: 2-(2-chlorophenyl)-4-cyano-4-phenyl-butanoic acid
MOLECULAR FORMULA: C17H14ClNO2
MOLECULAR WEIGHT: 299.75156
SMILES: C1=CC=C(C=C1)C(CC(C2=CC=CC=C2Cl)C(=O)O)C#N
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Product OPENEYE NAME: 2-cyano-2-(2-pyridyl)butanoate
CAS Name: 2-cyano-2-(2-pyridinyl)butanoate
IUPAC NAME: 2-cyano-2-pyridin-2-ylbutanoate
SYSTEMATIC NAME: 2-cyano-2-pyridin-2-yl-butanoate
MOLECULAR FORMULA: C10H9N2O2-
MOLECULAR WEIGHT: 189.19066
SMILES: CCC(C#N)(C1=CC=CC=N1)C(=O)[O-]
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Product OPENEYE NAME: 2-cyano-2-(2-pyridyl)butanoic acid
CAS Name: 2-cyano-2-(2-pyridinyl)butanoic acid
IUPAC NAME: 2-cyano-2-pyridin-2-ylbutanoic acid
SYSTEMATIC NAME: 2-cyano-2-pyridin-2-yl-butanoic acid
MOLECULAR FORMULA: C10H10N2O2
MOLECULAR WEIGHT: 190.1986
SMILES: CCC(C#N)(C1=CC=CC=N1)C(=O)O
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Product OPENEYE NAME: 2-(2-fluorophenyl)-3-phenyl-butanoic acid
CAS Name: 2-(2-fluorophenyl)-3-phenylbutanoic acid
IUPAC NAME: 2-(2-fluorophenyl)-3-phenylbutanoic acid
SYSTEMATIC NAME: 2-(2-fluorophenyl)-3-phenyl-butanoic acid
MOLECULAR FORMULA: C16H15FO2
MOLECULAR WEIGHT: 258.287503
SMILES: CC(C1=CC=CC=C1)C(C2=CC=CC=C2F)C(=O)O
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Product OPENEYE NAME: [cyano-(3,4-difluorophenyl)methyl] 3-(4-fluoro-2-methyl-3-pyridyl)propanoate
CAS Name: 3-(4-fluoro-2-methyl-3-pyridinyl)propanoic acid [cyano-(3,4-difluorophenyl)methyl] ester
IUPAC NAME: [cyano-(3,4-difluorophenyl)methyl] 3-(4-fluoro-2-methylpyridin-3-yl)propanoate
SYSTEMATIC NAME: [[3,4-bis(fluoranyl)phenyl]-cyano-methyl] 3-(4-fluoranyl-2-methyl-pyridin-3-yl)propanoate
MOLECULAR FORMULA: C17H13F3N2O2
MOLECULAR WEIGHT: 334.29253
SMILES: CC1=NC=CC(=C1CCC(=O)OC(C#N)C2=CC(=C(C=C2)F)F)F
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Product OPENEYE NAME: 2-[2-(3-fluorophenyl)-4-pyridyl]butanoate
CAS Name: 2-[2-(3-fluorophenyl)-4-pyridinyl]butanoate
IUPAC NAME: 2-[2-(3-fluorophenyl)pyridin-4-yl]butanoate
SYSTEMATIC NAME: 2-[2-(3-fluorophenyl)pyridin-4-yl]butanoate
MOLECULAR FORMULA: C15H13FNO2-
MOLECULAR WEIGHT: 258.267623
SMILES: CCC(C1=CC(=NC=C1)C2=CC(=CC=C2)F)C(=O)[O-]
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Product OPENEYE NAME: 2-[2-(3-fluorophenyl)-4-pyridyl]butanoic acid
CAS Name: 2-[2-(3-fluorophenyl)-4-pyridinyl]butanoic acid
IUPAC NAME: 2-[2-(3-fluorophenyl)pyridin-4-yl]butanoic acid
SYSTEMATIC NAME: 2-[2-(3-fluorophenyl)pyridin-4-yl]butanoic acid
MOLECULAR FORMULA: C15H14FNO2
MOLECULAR WEIGHT: 259.275563
SMILES: CCC(C1=CC(=NC=C1)C2=CC(=CC=C2)F)C(=O)O
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Product OPENEYE NAME: methyl 3-(4-chlorophenyl)-4-cyano-4-phenyl-butanoate
CAS Name: 3-(4-chlorophenyl)-4-cyano-4-phenylbutanoic acid methyl ester
IUPAC NAME: methyl 3-(4-chlorophenyl)-4-cyano-4-phenylbutanoate
SYSTEMATIC NAME: methyl 3-(4-chlorophenyl)-4-cyano-4-phenyl-butanoate
MOLECULAR FORMULA: C18H16ClNO2
MOLECULAR WEIGHT: 313.77814
SMILES: COC(=O)CC(C1=CC=C(C=C1)Cl)C(C#N)C2=CC=CC=C2
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Product OPENEYE NAME: methyl 4-cyano-4-(3-fluorophenyl)-3-phenyl-butanoate
CAS Name: 4-cyano-4-(3-fluorophenyl)-3-phenylbutanoic acid methyl ester
IUPAC NAME: methyl 4-cyano-4-(3-fluorophenyl)-3-phenylbutanoate
SYSTEMATIC NAME: methyl 4-cyano-4-(3-fluorophenyl)-3-phenyl-butanoate
MOLECULAR FORMULA: C18H16FNO2
MOLECULAR WEIGHT: 297.323543
SMILES: COC(=O)CC(C1=CC=CC=C1)C(C#N)C2=CC(=CC=C2)F
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Product OPENEYE NAME: methyl 4-cyano-4-(3,5-difluorophenyl)-3-phenyl-butanoate
CAS Name: 4-cyano-4-(3,5-difluorophenyl)-3-phenylbutanoic acid methyl ester
IUPAC NAME: methyl 4-cyano-4-(3,5-difluorophenyl)-3-phenylbutanoate
SYSTEMATIC NAME: methyl 4-[3,5-bis(fluoranyl)phenyl]-4-cyano-3-phenyl-butanoate
MOLECULAR FORMULA: C18H15F2NO2
MOLECULAR WEIGHT: 315.314006
SMILES: COC(=O)CC(C1=CC=CC=C1)C(C#N)C2=CC(=CC(=C2)F)F
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Product OPENEYE NAME: methyl 4-cyano-4-(3,4-difluorophenyl)-3-phenyl-butanoate
CAS Name: 4-cyano-4-(3,4-difluorophenyl)-3-phenylbutanoic acid methyl ester
IUPAC NAME: methyl 4-cyano-4-(3,4-difluorophenyl)-3-phenylbutanoate
SYSTEMATIC NAME: methyl 4-[3,4-bis(fluoranyl)phenyl]-4-cyano-3-phenyl-butanoate
MOLECULAR FORMULA: C18H15F2NO2
MOLECULAR WEIGHT: 315.314006
SMILES: COC(=O)CC(C1=CC=CC=C1)C(C#N)C2=CC(=C(C=C2)F)F
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Product OPENEYE NAME: 2-(carboxymethylsulfanyl)-1-[(E)-hexadec-2-enyl]-4-hydroxy-cyclohexanecarboxylic acid
CAS Name: 2-(carboxymethylthio)-1-[(E)-hexadec-2-enyl]-4-hydroxy-1-cyclohexanecarboxylic acid
IUPAC NAME: 2-(carboxymethylsulfanyl)-1-[(E)-hexadec-2-enyl]-4-hydroxycyclohexane-1-carboxylic acid
SYSTEMATIC NAME: 1-[(E)-hexadec-2-enyl]-2-(2-hydroxy-2-oxoethylsulfanyl)-4-oxidanyl-cyclohexane-1-carboxylic acid
MOLECULAR FORMULA: C25H44O5S
MOLECULAR WEIGHT: 456.67886
SMILES: CCCCCCCCCCCCC/C=C/CC1(CCC(CC1SCC(=O)O)O)C(=O)O
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Product OPENEYE NAME: [(E)-hexadec-2-enyl] 1-(3-methoxy-3-oxo-propyl)sulfanylcyclohexanecarboxylate
CAS Name: 1-[(3-methoxy-3-oxopropyl)thio]-1-cyclohexanecarboxylic acid [(E)-hexadec-2-enyl] ester
IUPAC NAME: [(E)-hexadec-2-enyl] 1-(3-methoxy-3-oxopropyl)sulfanylcyclohexane-1-carboxylate
SYSTEMATIC NAME: [(E)-hexadec-2-enyl] 1-(3-methoxy-3-oxidanylidene-propyl)sulfanylcyclohexane-1-carboxylate
MOLECULAR FORMULA: C27H48O4S
MOLECULAR WEIGHT: 468.73262
SMILES: CCCCCCCCCCCCC/C=C/COC(=O)C1(CCCCC1)SCCC(=O)OC
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Product OPENEYE NAME: 2-(2-carboxyethylsulfanyl)-1-[(E)-hexadec-2-enyl]-4-hydroxy-cyclohexanecarboxylic acid
CAS Name: 2-(2-carboxyethylthio)-1-[(E)-hexadec-2-enyl]-4-hydroxy-1-cyclohexanecarboxylic acid
IUPAC NAME: 2-(2-carboxyethylsulfanyl)-1-[(E)-hexadec-2-enyl]-4-hydroxycyclohexane-1-carboxylic acid
SYSTEMATIC NAME: 1-[(E)-hexadec-2-enyl]-2-(3-hydroxy-3-oxopropylsulfanyl)-4-oxidanyl-cyclohexane-1-carboxylic acid
MOLECULAR FORMULA: C26H46O5S
MOLECULAR WEIGHT: 470.70544
SMILES: CCCCCCCCCCCCC/C=C/CC1(CCC(CC1SCCC(=O)O)O)C(=O)O
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Product OPENEYE NAME: 2-(3-carboxypropylsulfanyl)-1-[(E)-hexadec-2-enyl]-4-hydroxy-cyclohexanecarboxylic acid
CAS Name: 2-(3-carboxypropylthio)-1-[(E)-hexadec-2-enyl]-4-hydroxy-1-cyclohexanecarboxylic acid
IUPAC NAME: 2-(3-carboxypropylsulfanyl)-1-[(E)-hexadec-2-enyl]-4-hydroxycyclohexane-1-carboxylic acid
SYSTEMATIC NAME: 1-[(E)-hexadec-2-enyl]-4-oxidanyl-2-(4-oxidanyl-4-oxidanylidene-butyl)sulfanyl-cyclohexane-1-carboxylic acid
MOLECULAR FORMULA: C27H48O5S
MOLECULAR WEIGHT: 484.73202
SMILES: CCCCCCCCCCCCC/C=C/CC1(CCC(CC1SCCCC(=O)O)O)C(=O)O
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Product OPENEYE NAME: 2-(2-carboxyethylsulfanyl)-4-hydroxy-1-[(E)-octadec-2-enyl]cyclohexanecarboxylic acid
CAS Name: 2-(2-carboxyethylthio)-4-hydroxy-1-[(E)-octadec-2-enyl]-1-cyclohexanecarboxylic acid
IUPAC NAME: 2-(2-carboxyethylsulfanyl)-4-hydroxy-1-[(E)-octadec-2-enyl]cyclohexane-1-carboxylic acid
SYSTEMATIC NAME: 2-(3-hydroxy-3-oxopropylsulfanyl)-1-[(E)-octadec-2-enyl]-4-oxidanyl-cyclohexane-1-carboxylic acid
MOLECULAR FORMULA: C28H50O5S
MOLECULAR WEIGHT: 498.7586
SMILES: CCCCCCCCCCCCCCC/C=C/CC1(CCC(CC1SCCC(=O)O)O)C(=O)O
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Product OPENEYE NAME: 2-(2-amino-2-oxo-ethyl)sulfanyl-1-[(E)-hexadec-2-enyl]-4-hydroxy-cyclohexanecarboxamide
CAS Name: 2-[(2-amino-2-oxoethyl)thio]-1-[(E)-hexadec-2-enyl]-4-hydroxy-1-cyclohexanecarboxamide
IUPAC NAME: 2-(2-amino-2-oxoethyl)sulfanyl-1-[(E)-hexadec-2-enyl]-4-hydroxycyclohexane-1-carboxamide
SYSTEMATIC NAME: 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-1-[(E)-hexadec-2-enyl]-4-oxidanyl-cyclohexane-1-carboxamide
MOLECULAR FORMULA: C25H46N2O3S
MOLECULAR WEIGHT: 454.70934
SMILES: CCCCCCCCCCCCC/C=C/CC1(CCC(CC1SCC(=O)N)O)C(=O)N
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Anthamber is one of the good chemicals for aromas
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