[4-[(2S)-2-methylbutyl]phenyl] 4-pentylbenzoate

Systemtic Name: [4-[(2S)-2-methylbutyl]phenyl] 4-pentylbenzoate Openeye Name: [4-[(2S)-2-methylbutyl]phenyl] 4-pentylbenzoate CAS Name: 4-pentylbenzoic acid [4-[(2S)-2-methylbutyl]phenyl] ester IUPAC Name: [4-[(2S)-2-methylbutyl]phenyl] 4-pentylbenzoate Traditional Name: 4-amylbenzoic acid [4-[(2S)-2-methylbutyl]phenyl] ester Formula: C23H30O2 MolecularWeight: 338.4831

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)CC(C)CC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C[C@@H](C)CC

InChI

InChI=1S/C23H30O2/c1-4-6-7-8-19-9-13-21(14-10-19)23(24)25-22-15-11-20(12-16-22)17-18(3)5-2/h9-16,18H,4-8,17H2,1-3H3/t18-/m0/s1