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

Systemtic Name: 4-[[1-methyl-6-[3-(4-methylphenyl)prop-1-ynyl]-4-oxidanylidene-quinolin-3-yl]methyl]benzoic acid Openeye Name: 4-[[1-methyl-4-oxo-6-[3-(p-tolyl)prop-1-ynyl]-3-quinolyl]methyl]benzoic acid CAS Name: 4-[[1-methyl-6-[3-(4-methylphenyl)prop-1-ynyl]-4-oxo-3-quinolinyl]methyl]benzoic acid IUPAC Name: 4-[[1-methyl-6-[3-(4-methylphenyl)prop-1-ynyl]-4-oxoquinolin-3-yl]methyl]benzoic acid Traditional Name: 4-[[4-keto-1-methyl-6-[3-(p-tolyl)prop-1-ynyl]-3-quinolyl]methyl]benzoic acid Formula: C28H23NO3 MolecularWeight: 421.48712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC#CC2=CC3=C(C=C2)N(C=C(C3=O)CC4=CC=C(C=C4)C(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)CC#CC2=CC3=C(C=C2)N(C=C(C3=O)CC4=CC=C(C=C4)C(=O)O)C

InChI

InChI=1S/C28H23NO3/c1-19-6-8-20(9-7-19)4-3-5-21-12-15-26-25(17-21)27(30)24(18-29(26)2)16-22-10-13-23(14-11-22)28(31)32/h6-15,17-18H,4,16H2,1-2H3,(H,31,32)