4-[[6-(3-cyano-3-phenyl-prop-1-ynyl)-1-methyl-4-oxidanylidene-2,3-dihydroquinolin-3-yl]methyl]benzoic acid

Systemtic Name: 4-[[6-(3-cyano-3-phenyl-prop-1-ynyl)-1-methyl-4-oxidanylidene-2,3-dihydroquinolin-3-yl]methyl]benzoic acid Openeye Name: 4-[[6-(3-cyano-3-phenyl-prop-1-ynyl)-1-methyl-4-oxo-2,3-dihydroquinolin-3-yl]methyl]benzoic acid CAS Name: 4-[[6-(3-cyano-3-phenylprop-1-ynyl)-1-methyl-4-oxo-2,3-dihydroquinolin-3-yl]methyl]benzoic acid IUPAC Name: 4-[[6-(3-cyano-3-phenylprop-1-ynyl)-1-methyl-4-oxo-2,3-dihydroquinolin-3-yl]methyl]benzoic acid Traditional Name: 4-[[6-(3-cyano-3-phenyl-prop-1-ynyl)-4-keto-1-methyl-2,3-dihydroquinolin-3-yl]methyl]benzoic acid Formula: C28H22N2O3 MolecularWeight: 434.48588

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(C(=O)C2=C1C=CC(=C2)C#CC(C#N)C3=CC=CC=C3)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CN1CC(C(=O)C2=C1C=CC(=C2)C#CC(C#N)C3=CC=CC=C3)CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C28H22N2O3/c1-30-18-24(15-19-7-11-22(12-8-19)28(32)33)27(31)25-16-20(10-14-26(25)30)9-13-23(17-29)21-5-3-2-4-6-21/h2-8,10-12,14,16,23-24H,15,18H2,1H3,(H,32,33)