2-methylpropyl 4-[[2-(4-bromophenyl)-6,8-dimethyl-quinolin-4-yl]carbonylamino]benzoate

Systemtic Name: 2-methylpropyl 4-[[2-(4-bromophenyl)-6,8-dimethyl-quinolin-4-yl]carbonylamino]benzoate Openeye Name: isobutyl 4-[[2-(4-bromophenyl)-6,8-dimethyl-quinoline-4-carbonyl]amino]benzoate CAS Name: 4-[[[2-(4-bromophenyl)-6,8-dimethyl-4-quinolinyl]-oxomethyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[2-(4-bromophenyl)-6,8-dimethylquinoline-4-carbonyl]amino]benzoate Traditional Name: 4-[[2-(4-bromophenyl)-6,8-dimethyl-quinoline-4-carbonyl]amino]benzoic acid isobutyl ester Formula: C29H27BrN2O3 MolecularWeight: 531.44028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Br)C(=O)NC4=CC=C(C=C4)C(=O)OCC(C)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Br)C(=O)NC4=CC=C(C=C4)C(=O)OCC(C)C)C

InChI

InChI=1S/C29H27BrN2O3/c1-17(2)16-35-29(34)21-7-11-23(12-8-21)31-28(33)25-15-26(20-5-9-22(30)10-6-20)32-27-19(4)13-18(3)14-24(25)27/h5-15,17H,16H2,1-4H3,(H,31,33)