[4-(4-propylphenyl)phenyl] 1-cyano-3-methyl-cyclohexane-1-carboxylate

Systemtic Name: [4-(4-propylphenyl)phenyl] 1-cyano-3-methyl-cyclohexane-1-carboxylate Openeye Name: [4-(4-propylphenyl)phenyl] 1-cyano-3-methyl-cyclohexanecarboxylate CAS Name: 1-cyano-3-methyl-1-cyclohexanecarboxylic acid [4-(4-propylphenyl)phenyl] ester IUPAC Name: [4-(4-propylphenyl)phenyl] 1-cyano-3-methylcyclohexane-1-carboxylate Traditional Name: 1-cyano-3-methyl-cyclohexanecarboxylic acid [4-(4-propylphenyl)phenyl] ester Formula: C24H27NO2 MolecularWeight: 361.47668

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3(CCCC(C3)C)C#N

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3(CCCC(C3)C)C#N

InChI

InChI=1S/C24H27NO2/c1-3-5-19-7-9-20(10-8-19)21-11-13-22(14-12-21)27-23(26)24(17-25)15-4-6-18(2)16-24/h7-14,18H,3-6,15-16H2,1-2H3