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

Systemtic Name: [4-(4-butoxyphenyl)phenyl] 1-cyano-3-methyl-cyclohexane-1-carboxylate Openeye Name: [4-(4-butoxyphenyl)phenyl] 1-cyano-3-methyl-cyclohexanecarboxylate CAS Name: 1-cyano-3-methyl-1-cyclohexanecarboxylic acid [4-(4-butoxyphenyl)phenyl] ester IUPAC Name: [4-(4-butoxyphenyl)phenyl] 1-cyano-3-methylcyclohexane-1-carboxylate Traditional Name: 1-cyano-3-methyl-cyclohexanecarboxylic acid [4-(4-butoxyphenyl)phenyl] ester Formula: C25H29NO3 MolecularWeight: 391.50266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3(CCCC(C3)C)C#N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3(CCCC(C3)C)C#N

InChI

InChI=1S/C25H29NO3/c1-3-4-16-28-22-11-7-20(8-12-22)21-9-13-23(14-10-21)29-24(27)25(18-26)15-5-6-19(2)17-25/h7-14,19H,3-6,15-17H2,1-2H3