[1-(3-chlorophenyl)carbonyl-2,2,4-trimethyl-quinolin-6-yl] benzoate

Systemtic Name: [1-(3-chlorophenyl)carbonyl-2,2,4-trimethyl-quinolin-6-yl] benzoate Openeye Name: [1-(3-chlorobenzoyl)-2,2,4-trimethyl-6-quinolyl] benzoate CAS Name: benzoic acid [1-[(3-chlorophenyl)-oxomethyl]-2,2,4-trimethyl-6-quinolinyl] ester IUPAC Name: [1-(3-chlorobenzoyl)-2,2,4-trimethylquinolin-6-yl] benzoate Traditional Name: benzoic acid [1-(3-chlorobenzoyl)-2,2,4-trimethyl-6-quinolyl] ester Formula: C26H22ClNO3 MolecularWeight: 431.91078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(N(C2=C1C=C(C=C2)OC(=O)C3=CC=CC=C3)C(=O)C4=CC(=CC=C4)Cl)(C)C

Isomeric SMILES

CC1=CC(N(C2=C1C=C(C=C2)OC(=O)C3=CC=CC=C3)C(=O)C4=CC(=CC=C4)Cl)(C)C

InChI

InChI=1S/C26H22ClNO3/c1-17-16-26(2,3)28(24(29)19-10-7-11-20(27)14-19)23-13-12-21(15-22(17)23)31-25(30)18-8-5-4-6-9-18/h4-16H,1-3H3