2-methylpropyl 4,4-dimethyl-3-(2-methylphenyl)carbonyl-hexanoate

Systemtic Name: 2-methylpropyl 4,4-dimethyl-3-(2-methylphenyl)carbonyl-hexanoate Openeye Name: isobutyl 4,4-dimethyl-3-(2-methylbenzoyl)hexanoate CAS Name: 4,4-dimethyl-3-[(2-methylphenyl)-oxomethyl]hexanoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4,4-dimethyl-3-(2-methylbenzoyl)hexanoate Traditional Name: 4,4-dimethyl-3-o-toluoyl-hexanoic acid isobutyl ester Formula: C20H30O3 MolecularWeight: 318.4504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(CC(=O)OCC(C)C)C(=O)C1=CC=CC=C1C

Isomeric SMILES

CCC(C)(C)C(CC(=O)OCC(C)C)C(=O)C1=CC=CC=C1C

InChI

InChI=1S/C20H30O3/c1-7-20(5,6)17(12-18(21)23-13-14(2)3)19(22)16-11-9-8-10-15(16)4/h8-11,14,17H,7,12-13H2,1-6H3