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

Systemtic Name: 4-[[6-[3-(4-methoxyphenyl)prop-1-ynyl]-1-methyl-4-oxidanylidene-quinolin-3-yl]methyl]benzoic acid Openeye Name: 4-[[6-[3-(4-methoxyphenyl)prop-1-ynyl]-1-methyl-4-oxo-3-quinolyl]methyl]benzoic acid CAS Name: 4-[[6-[3-(4-methoxyphenyl)prop-1-ynyl]-1-methyl-4-oxo-3-quinolinyl]methyl]benzoic acid IUPAC Name: 4-[[6-[3-(4-methoxyphenyl)prop-1-ynyl]-1-methyl-4-oxoquinolin-3-yl]methyl]benzoic acid Traditional Name: 4-[[4-keto-6-[3-(4-methoxyphenyl)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#CCC3=CC=C(C=C3)OC)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C28H23NO4/c1-29-18-23(16-21-6-11-22(12-7-21)28(31)32)27(30)25-17-20(10-15-26(25)29)5-3-4-19-8-13-24(33-2)14-9-19/h6-15,17-18H,4,16H2,1-2H3,(H,31,32)