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

Systemtic Name: 4-[[6-[3-(4-bromophenyl)prop-1-ynyl]-4-oxidanylidene-1H-quinolin-3-yl]methyl]benzoic acid Openeye Name: 4-[[6-[3-(4-bromophenyl)prop-1-ynyl]-4-oxo-1H-quinolin-3-yl]methyl]benzoic acid CAS Name: 4-[[6-[3-(4-bromophenyl)prop-1-ynyl]-4-oxo-1H-quinolin-3-yl]methyl]benzoic acid IUPAC Name: 4-[[6-[3-(4-bromophenyl)prop-1-ynyl]-4-oxo-1H-quinolin-3-yl]methyl]benzoic acid Traditional Name: 4-[[6-[3-(4-bromophenyl)prop-1-ynyl]-4-keto-1H-quinolin-3-yl]methyl]benzoic acid Formula: C26H18BrNO3 MolecularWeight: 472.33002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#CC2=CC3=C(C=C2)NC=C(C3=O)CC4=CC=C(C=C4)C(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1CC#CC2=CC3=C(C=C2)NC=C(C3=O)CC4=CC=C(C=C4)C(=O)O)Br

InChI

InChI=1S/C26H18BrNO3/c27-22-11-6-17(7-12-22)2-1-3-18-8-13-24-23(15-18)25(29)21(16-28-24)14-19-4-9-20(10-5-19)26(30)31/h4-13,15-16H,2,14H2,(H,28,29)(H,30,31)