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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2C3=C(C=C(C=C3)OC(=O)C4=CC=C(C=C4)C)C(=CC2(C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2C3=C(C=C(C=C3)OC(=O)C4=CC=C(C=C4)C)C(=CC2(C)C)C

InChI

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