4-[[6-[(4-bromophenyl)methylcarbamoyl]-4-oxidanylidene-1H-quinolin-3-yl]methyl]benzoic acid

Systemtic Name: 4-[[6-[(4-bromophenyl)methylcarbamoyl]-4-oxidanylidene-1H-quinolin-3-yl]methyl]benzoic acid Openeye Name: 4-[[6-[(4-bromophenyl)methylcarbamoyl]-4-oxo-1H-quinolin-3-yl]methyl]benzoic acid CAS Name: 4-[[6-[[(4-bromophenyl)methylamino]-oxomethyl]-4-oxo-1H-quinolin-3-yl]methyl]benzoic acid IUPAC Name: 4-[[6-[(4-bromophenyl)methylcarbamoyl]-4-oxo-1H-quinolin-3-yl]methyl]benzoic acid Traditional Name: 4-[[6-[(4-bromobenzyl)carbamoyl]-4-keto-1H-quinolin-3-yl]methyl]benzoic acid Formula: C25H19BrN2O4 MolecularWeight: 491.33336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CNC3=C(C2=O)C=C(C=C3)C(=O)NCC4=CC=C(C=C4)Br)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CC2=CNC3=C(C2=O)C=C(C=C3)C(=O)NCC4=CC=C(C=C4)Br)C(=O)O

InChI

InChI=1S/C25H19BrN2O4/c26-20-8-3-16(4-9-20)13-28-24(30)18-7-10-22-21(12-18)23(29)19(14-27-22)11-15-1-5-17(6-2-15)25(31)32/h1-10,12,14H,11,13H2,(H,27,29)(H,28,30)(H,31,32)