phenyl 1-[4-[(E)-pent-3-enyl]cyclohexyl]-4-propyl-cyclohexane-1-carboxylate

Systemtic Name: phenyl 1-[4-[(E)-pent-3-enyl]cyclohexyl]-4-propyl-cyclohexane-1-carboxylate Openeye Name: phenyl 1-[4-[(E)-pent-3-enyl]cyclohexyl]-4-propyl-cyclohexanecarboxylate CAS Name: 1-[4-[(E)-pent-3-enyl]cyclohexyl]-4-propyl-1-cyclohexanecarboxylic acid phenyl ester IUPAC Name: phenyl 1-[4-[(E)-pent-3-enyl]cyclohexyl]-4-propylcyclohexane-1-carboxylate Traditional Name: 1-[4-[(E)-pent-3-enyl]cyclohexyl]-4-propyl-cyclohexanecarboxylic acid phenyl ester Formula: C27H40O2 MolecularWeight: 396.6053

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC(CC1)(C2CCC(CC2)CCC=CC)C(=O)OC3=CC=CC=C3

Isomeric SMILES

CCCC1CCC(CC1)(C2CCC(CC2)CC/C=C/C)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C27H40O2/c1-3-5-7-11-23-14-16-24(17-15-23)27(20-18-22(10-4-2)19-21-27)26(28)29-25-12-8-6-9-13-25/h3,5-6,8-9,12-13,22-24H,4,7,10-11,14-21H2,1-2H3/b5-3+