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

Systemtic Name: 4-[[1-methyl-4-oxidanylidene-6-(3-pyridin-4-ylprop-1-ynyl)quinolin-3-yl]methyl]benzoic acid Openeye Name: 4-[[1-methyl-4-oxo-6-[3-(4-pyridyl)prop-1-ynyl]-3-quinolyl]methyl]benzoic acid CAS Name: 4-[[1-methyl-4-oxo-6-(3-pyridin-4-ylprop-1-ynyl)-3-quinolinyl]methyl]benzoic acid IUPAC Name: 4-[[1-methyl-4-oxo-6-(3-pyridin-4-ylprop-1-ynyl)quinolin-3-yl]methyl]benzoic acid Traditional Name: 4-[[4-keto-1-methyl-6-[3-(4-pyridyl)prop-1-ynyl]-3-quinolyl]methyl]benzoic acid Formula: C26H20N2O3 MolecularWeight: 408.4486

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=C1C=CC(=C2)C#CCC3=CC=NC=C3)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CN1C=C(C(=O)C2=C1C=CC(=C2)C#CCC3=CC=NC=C3)CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C26H20N2O3/c1-28-17-22(15-20-5-8-21(9-6-20)26(30)31)25(29)23-16-19(7-10-24(23)28)4-2-3-18-11-13-27-14-12-18/h5-14,16-17H,3,15H2,1H3,(H,30,31)