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

Systemtic Name: 4-[[6-(3-methoxy-3-phenyl-prop-1-ynyl)-1-methyl-4-oxidanylidene-quinolin-3-yl]methyl]benzoic acid Openeye Name: 4-[[6-(3-methoxy-3-phenyl-prop-1-ynyl)-1-methyl-4-oxo-3-quinolyl]methyl]benzoic acid CAS Name: 4-[[6-(3-methoxy-3-phenylprop-1-ynyl)-1-methyl-4-oxo-3-quinolinyl]methyl]benzoic acid IUPAC Name: 4-[[6-(3-methoxy-3-phenylprop-1-ynyl)-1-methyl-4-oxoquinolin-3-yl]methyl]benzoic acid Traditional Name: 4-[[4-keto-6-(3-methoxy-3-phenyl-prop-1-ynyl)-1-methyl-3-quinolyl]methyl]benzoic acid Formula: C28H23NO4 MolecularWeight: 437.48652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H23NO4/c1-29-18-23(16-19-8-12-22(13-9-19)28(31)32)27(30)24-17-20(10-14-25(24)29)11-15-26(33-2)21-6-4-3-5-7-21/h3-10,12-14,17-18,26H,16H2,1-2H3,(H,31,32)