[2,2,4-trimethyl-1-(2-methylphenyl)carbonyl-quinolin-6-yl] 2-methylbenzoate

Systemtic Name: [2,2,4-trimethyl-1-(2-methylphenyl)carbonyl-quinolin-6-yl] 2-methylbenzoate Openeye Name: [2,2,4-trimethyl-1-(2-methylbenzoyl)-6-quinolyl] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [2,2,4-trimethyl-1-[(2-methylphenyl)-oxomethyl]-6-quinolinyl] ester IUPAC Name: [2,2,4-trimethyl-1-(2-methylbenzoyl)quinolin-6-yl] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid (2,2,4-trimethyl-1-o-toluoyl-6-quinolyl) ester Formula: C28H27NO3 MolecularWeight: 425.51888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2C3=C(C=C(C=C3)OC(=O)C4=CC=CC=C4C)C(=CC2(C)C)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2C3=C(C=C(C=C3)OC(=O)C4=CC=CC=C4C)C(=CC2(C)C)C

InChI

InChI=1S/C28H27NO3/c1-18-10-6-8-12-22(18)26(30)29-25-15-14-21(16-24(25)20(3)17-28(29,4)5)32-27(31)23-13-9-7-11-19(23)2/h6-17H,1-5H3