butyl 4-[(6-bromanyl-2-phenyl-quinolin-4-yl)carbonylamino]benzoate

Systemtic Name: butyl 4-[(6-bromanyl-2-phenyl-quinolin-4-yl)carbonylamino]benzoate Openeye Name: butyl 4-[(6-bromo-2-phenyl-quinoline-4-carbonyl)amino]benzoate CAS Name: 4-[[(6-bromo-2-phenyl-4-quinolinyl)-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(6-bromo-2-phenylquinoline-4-carbonyl)amino]benzoate Traditional Name: 4-[(6-bromo-2-phenyl-quinoline-4-carbonyl)amino]benzoic acid butyl ester Formula: C27H23BrN2O3 MolecularWeight: 503.38712

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C27H23BrN2O3/c1-2-3-15-33-27(32)19-9-12-21(13-10-19)29-26(31)23-17-25(18-7-5-4-6-8-18)30-24-14-11-20(28)16-22(23)24/h4-14,16-17H,2-3,15H2,1H3,(H,29,31)