2-methylpentyl 4-[4-(4-propylcyclohexyl)phenyl]cyclohexene-1-carboxylate

Systemtic Name: 2-methylpentyl 4-[4-(4-propylcyclohexyl)phenyl]cyclohexene-1-carboxylate Openeye Name: 2-methylpentyl 4-[4-(4-propylcyclohexyl)phenyl]cyclohexene-1-carboxylate CAS Name: 4-[4-(4-propylcyclohexyl)phenyl]-1-cyclohexenecarboxylic acid 2-methylpentyl ester IUPAC Name: 2-methylpentyl 4-[4-(4-propylcyclohexyl)phenyl]cyclohexene-1-carboxylate Traditional Name: 4-[4-(4-propylcyclohexyl)phenyl]cyclohexene-1-carboxylic acid 2-methylpentyl ester Formula: C28H42O2 MolecularWeight: 410.63188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC(CC1)C2=CC=C(C=C2)C3CCC(=CC3)C(=O)OCC(C)CCC

Isomeric SMILES

CCCC1CCC(CC1)C2=CC=C(C=C2)C3CCC(=CC3)C(=O)OCC(C)CCC

InChI

InChI=1S/C28H42O2/c1-4-6-21(3)20-30-28(29)27-18-16-26(17-19-27)25-14-12-24(13-15-25)23-10-8-22(7-5-2)9-11-23/h12-15,18,21-23,26H,4-11,16-17,19-20H2,1-3H3