octan-2-yl 4-(4-chlorophenyl)cyclohexene-1-carboxylate

Systemtic Name: octan-2-yl 4-(4-chlorophenyl)cyclohexene-1-carboxylate Openeye Name: 1-methylheptyl 4-(4-chlorophenyl)cyclohexene-1-carboxylate CAS Name: 4-(4-chlorophenyl)-1-cyclohexenecarboxylic acid octan-2-yl ester IUPAC Name: octan-2-yl 4-(4-chlorophenyl)cyclohexene-1-carboxylate Traditional Name: 4-(4-chlorophenyl)cyclohexene-1-carboxylic acid 1-methylheptyl ester Formula: C21H29ClO2 MolecularWeight: 348.90676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)C1=CCC(CC1)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCCCC(C)OC(=O)C1=CCC(CC1)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H29ClO2/c1-3-4-5-6-7-16(2)24-21(23)19-10-8-17(9-11-19)18-12-14-20(22)15-13-18/h10,12-17H,3-9,11H2,1-2H3