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

Systemtic Name: 4-[[6-(3-chloranyl-3-phenyl-prop-1-ynyl)-1-methyl-4-oxidanylidene-quinolin-3-yl]methyl]benzoic acid Openeye Name: 4-[[6-(3-chloro-3-phenyl-prop-1-ynyl)-1-methyl-4-oxo-3-quinolyl]methyl]benzoic acid CAS Name: 4-[[6-(3-chloro-3-phenylprop-1-ynyl)-1-methyl-4-oxo-3-quinolinyl]methyl]benzoic acid IUPAC Name: 4-[[6-(3-chloro-3-phenylprop-1-ynyl)-1-methyl-4-oxoquinolin-3-yl]methyl]benzoic acid Traditional Name: 4-[[6-(3-chloro-3-phenyl-prop-1-ynyl)-4-keto-1-methyl-3-quinolyl]methyl]benzoic acid Formula: C27H20ClNO3 MolecularWeight: 441.9056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H20ClNO3/c1-29-17-22(15-18-7-11-21(12-8-18)27(31)32)26(30)23-16-19(10-14-25(23)29)9-13-24(28)20-5-3-2-4-6-20/h2-8,10-12,14,16-17,24H,15H2,1H3,(H,31,32)