butyl 4-[[6-bromanyl-2-(3,4-dimethylphenyl)quinolin-4-yl]carbonylamino]benzoate

Systemtic Name: butyl 4-[[6-bromanyl-2-(3,4-dimethylphenyl)quinolin-4-yl]carbonylamino]benzoate Openeye Name: butyl 4-[[6-bromo-2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]benzoate CAS Name: 4-[[[6-bromo-2-(3,4-dimethylphenyl)-4-quinolinyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[6-bromo-2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]benzoate Traditional Name: 4-[[6-bromo-2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]benzoic acid butyl ester Formula: C29H27BrN2O3 MolecularWeight: 531.44028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC(=C(C=C4)C)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC(=C(C=C4)C)C

InChI

InChI=1S/C29H27BrN2O3/c1-4-5-14-35-29(34)20-8-11-23(12-9-20)31-28(33)25-17-27(21-7-6-18(2)19(3)15-21)32-26-13-10-22(30)16-24(25)26/h6-13,15-17H,4-5,14H2,1-3H3,(H,31,33)