[4-(4-propylcyclohexyl)phenyl] 4-cyano-4-heptyl-cyclohexane-1-carboxylate

Systemtic Name: [4-(4-propylcyclohexyl)phenyl] 4-cyano-4-heptyl-cyclohexane-1-carboxylate Openeye Name: [4-(4-propylcyclohexyl)phenyl] 4-cyano-4-heptyl-cyclohexanecarboxylate CAS Name: 4-cyano-4-heptyl-1-cyclohexanecarboxylic acid [4-(4-propylcyclohexyl)phenyl] ester IUPAC Name: [4-(4-propylcyclohexyl)phenyl] 4-cyano-4-heptylcyclohexane-1-carboxylate Traditional Name: 4-cyano-4-heptyl-cyclohexanecarboxylic acid [4-(4-propylcyclohexyl)phenyl] ester Formula: C30H45NO2 MolecularWeight: 451.6838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(CCC(CC1)C(=O)OC2=CC=C(C=C2)C3CCC(CC3)CCC)C#N

Isomeric SMILES

CCCCCCCC1(CCC(CC1)C(=O)OC2=CC=C(C=C2)C3CCC(CC3)CCC)C#N

InChI

InChI=1S/C30H45NO2/c1-3-5-6-7-8-20-30(23-31)21-18-27(19-22-30)29(32)33-28-16-14-26(15-17-28)25-12-10-24(9-4-2)11-13-25/h14-17,24-25,27H,3-13,18-22H2,1-2H3