[2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl] 2-[(2-phenylquinolin-4-yl)carbonylamino]benzoate

Systemtic Name: [2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl] 2-[(2-phenylquinolin-4-yl)carbonylamino]benzoate Openeye Name: [2-(4-iodoanilino)-2-oxo-ethyl] 2-[(2-phenylquinoline-4-carbonyl)amino]benzoate CAS Name: 2-[[oxo-(2-phenyl-4-quinolinyl)methyl]amino]benzoic acid [2-(4-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-iodoanilino)-2-oxoethyl] 2-[(2-phenylquinoline-4-carbonyl)amino]benzoate Traditional Name: 2-[(2-phenylquinoline-4-carbonyl)amino]benzoic acid [2-(4-iodoanilino)-2-keto-ethyl] ester Formula: C31H22IN3O4 MolecularWeight: 627.42855

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=CC=C4C(=O)OCC(=O)NC5=CC=C(C=C5)I

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=CC=C4C(=O)OCC(=O)NC5=CC=C(C=C5)I

InChI

InChI=1S/C31H22IN3O4/c32-21-14-16-22(17-15-21)33-29(36)19-39-31(38)24-11-5-7-13-27(24)35-30(37)25-18-28(20-8-2-1-3-9-20)34-26-12-6-4-10-23(25)26/h1-18H,19H2,(H,33,36)(H,35,37)