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

Systemtic Name: 4-[[6-[3-(3-bromophenyl)prop-1-ynyl]-4-oxidanylidene-1H-quinolin-3-yl]methyl]benzoic acid Openeye Name: 4-[[6-[3-(3-bromophenyl)prop-1-ynyl]-4-oxo-1H-quinolin-3-yl]methyl]benzoic acid CAS Name: 4-[[6-[3-(3-bromophenyl)prop-1-ynyl]-4-oxo-1H-quinolin-3-yl]methyl]benzoic acid IUPAC Name: 4-[[6-[3-(3-bromophenyl)prop-1-ynyl]-4-oxo-1H-quinolin-3-yl]methyl]benzoic acid Traditional Name: 4-[[6-[3-(3-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(=C1)Br)CC#CC2=CC3=C(C=C2)NC=C(C3=O)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C26H18BrNO3/c27-22-6-2-5-17(14-22)3-1-4-18-9-12-24-23(15-18)25(29)21(16-28-24)13-19-7-10-20(11-8-19)26(30)31/h2,5-12,14-16H,3,13H2,(H,28,29)(H,30,31)