[4-(4-butylphenyl)-2-chloranyl-phenyl] 1-pentylcyclohexane-1-carboxylate

Systemtic Name: [4-(4-butylphenyl)-2-chloranyl-phenyl] 1-pentylcyclohexane-1-carboxylate Openeye Name: [4-(4-butylphenyl)-2-chloro-phenyl] 1-pentylcyclohexanecarboxylate CAS Name: 1-pentyl-1-cyclohexanecarboxylic acid [4-(4-butylphenyl)-2-chlorophenyl] ester IUPAC Name: [4-(4-butylphenyl)-2-chlorophenyl] 1-pentylcyclohexane-1-carboxylate Traditional Name: 1-amylcyclohexanecarboxylic acid [4-(4-butylphenyl)-2-chloro-phenyl] ester Formula: C28H37ClO2 MolecularWeight: 441.04518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(CCCCC1)C(=O)OC2=C(C=C(C=C2)C3=CC=C(C=C3)CCCC)Cl

Isomeric SMILES

CCCCCC1(CCCCC1)C(=O)OC2=C(C=C(C=C2)C3=CC=C(C=C3)CCCC)Cl

InChI

InChI=1S/C28H37ClO2/c1-3-5-8-18-28(19-9-7-10-20-28)27(30)31-26-17-16-24(21-25(26)29)23-14-12-22(13-15-23)11-6-4-2/h12-17,21H,3-11,18-20H2,1-2H3