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

Systemtic Name: 4-[[1-methyl-4-oxidanylidene-6-(3-pyridin-3-ylprop-1-ynyl)quinolin-3-yl]methyl]benzoic acid Openeye Name: 4-[[1-methyl-4-oxo-6-[3-(3-pyridyl)prop-1-ynyl]-3-quinolyl]methyl]benzoic acid CAS Name: 4-[[1-methyl-4-oxo-6-[3-(3-pyridinyl)prop-1-ynyl]-3-quinolinyl]methyl]benzoic acid IUPAC Name: 4-[[1-methyl-4-oxo-6-(3-pyridin-3-ylprop-1-ynyl)quinolin-3-yl]methyl]benzoic acid Traditional Name: 4-[[4-keto-1-methyl-6-[3-(3-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=CN=CC=C3)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C26H20N2O3/c1-28-17-22(14-19-7-10-21(11-8-19)26(30)31)25(29)23-15-18(9-12-24(23)28)4-2-5-20-6-3-13-27-16-20/h3,6-13,15-17H,5,14H2,1H3,(H,30,31)