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

Systemtic Name: 4-[[6-[3-(4-cyanophenyl)prop-1-ynyl]-1-methyl-4-oxidanylidene-quinolin-3-yl]methyl]benzoic acid Openeye Name: 4-[[6-[3-(4-cyanophenyl)prop-1-ynyl]-1-methyl-4-oxo-3-quinolyl]methyl]benzoic acid CAS Name: 4-[[6-[3-(4-cyanophenyl)prop-1-ynyl]-1-methyl-4-oxo-3-quinolinyl]methyl]benzoic acid IUPAC Name: 4-[[6-[3-(4-cyanophenyl)prop-1-ynyl]-1-methyl-4-oxoquinolin-3-yl]methyl]benzoic acid Traditional Name: 4-[[6-[3-(4-cyanophenyl)prop-1-ynyl]-4-keto-1-methyl-3-quinolyl]methyl]benzoic acid Formula: C28H20N2O3 MolecularWeight: 432.47

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H20N2O3/c1-30-18-24(15-21-9-12-23(13-10-21)28(32)33)27(31)25-16-20(11-14-26(25)30)4-2-3-19-5-7-22(17-29)8-6-19/h5-14,16,18H,3,15H2,1H3,(H,32,33)