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

Systemtic Name: 4-[[4-oxidanylidene-6-[3-(3-pyridin-3-ylphenyl)prop-1-ynyl]-1H-quinolin-3-yl]methyl]benzoic acid Openeye Name: 4-[[4-oxo-6-[3-[3-(3-pyridyl)phenyl]prop-1-ynyl]-1H-quinolin-3-yl]methyl]benzoic acid CAS Name: 4-[[4-oxo-6-[3-[3-(3-pyridinyl)phenyl]prop-1-ynyl]-1H-quinolin-3-yl]methyl]benzoic acid IUPAC Name: 4-[[4-oxo-6-[3-(3-pyridin-3-ylphenyl)prop-1-ynyl]-1H-quinolin-3-yl]methyl]benzoic acid Traditional Name: 4-[[4-keto-6-[3-[3-(3-pyridyl)phenyl]prop-1-ynyl]-1H-quinolin-3-yl]methyl]benzoic acid Formula: C31H22N2O3 MolecularWeight: 470.51798

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CC#CC2=CC3=C(C=C2)NC=C(C3=O)CC4=CC=C(C=C4)C(=O)O)C5=CN=CC=C5

Isomeric SMILES

C1=CC(=CC(=C1)CC#CC2=CC3=C(C=C2)NC=C(C3=O)CC4=CC=C(C=C4)C(=O)O)C5=CN=CC=C5

InChI

InChI=1S/C31H22N2O3/c34-30-27(17-23-9-12-24(13-10-23)31(35)36)20-33-29-14-11-22(18-28(29)30)5-1-4-21-6-2-7-25(16-21)26-8-3-15-32-19-26/h2-3,6-16,18-20H,4,17H2,(H,33,34)(H,35,36)