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

Systemtic Name: 4-[[4-oxidanylidene-6-[3-(3-pyridin-4-ylphenyl)prop-1-ynyl]-1H-quinolin-3-yl]methyl]benzoic acid Openeye Name: 4-[[4-oxo-6-[3-[3-(4-pyridyl)phenyl]prop-1-ynyl]-1H-quinolin-3-yl]methyl]benzoic acid CAS Name: 4-[[4-oxo-6-[3-(3-pyridin-4-ylphenyl)prop-1-ynyl]-1H-quinolin-3-yl]methyl]benzoic acid IUPAC Name: 4-[[4-oxo-6-[3-(3-pyridin-4-ylphenyl)prop-1-ynyl]-1H-quinolin-3-yl]methyl]benzoic acid Traditional Name: 4-[[4-keto-6-[3-[3-(4-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=CC=NC=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=CC=NC=C5

InChI

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