4-[2-(4,4-dimethyl-2-oxidanylidene-1,3-dihydroquinolin-6-yl)ethynyl]benzoic acid

Systemtic Name: 4-[2-(4,4-dimethyl-2-oxidanylidene-1,3-dihydroquinolin-6-yl)ethynyl]benzoic acid Openeye Name: 4-[2-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)ethynyl]benzoic acid CAS Name: 4-[2-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)ethynyl]benzoic acid IUPAC Name: 4-[2-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)ethynyl]benzoic acid Traditional Name: 4-[2-(2-keto-4,4-dimethyl-1,3-dihydroquinolin-6-yl)ethynyl]benzoic acid Formula: C20H17NO3 MolecularWeight: 319.35388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)NC2=C1C=C(C=C2)C#CC3=CC=C(C=C3)C(=O)O)C

Isomeric SMILES

CC1(CC(=O)NC2=C1C=C(C=C2)C#CC3=CC=C(C=C3)C(=O)O)C

InChI

InChI=1S/C20H17NO3/c1-20(2)12-18(22)21-17-10-7-14(11-16(17)20)4-3-13-5-8-15(9-6-13)19(23)24/h5-11H,12H2,1-2H3,(H,21,22)(H,23,24)