4-methylpentyl 3,3-diphenylpropanoate

Systemtic Name: 4-methylpentyl 3,3-diphenylpropanoate Openeye Name: isohexyl 3,3-diphenylpropanoate CAS Name: 3,3-diphenylpropanoic acid 4-methylpentyl ester IUPAC Name: 4-methylpentyl 3,3-diphenylpropanoate Traditional Name: 3,3-diphenylpropionic acid isohexyl ester Formula: C21H26O2 MolecularWeight: 310.42994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCOC(=O)CC(C1=CC=CC=C1)C2=CC=CC=C2

Isomeric SMILES

CC(C)CCCOC(=O)CC(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C21H26O2/c1-17(2)10-9-15-23-21(22)16-20(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-8,11-14,17,20H,9-10,15-16H2,1-2H3