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

Systemtic Name: 4-[[6-[3-(4-methylphenyl)prop-1-ynyl]-4-oxidanylidene-1H-quinolin-3-yl]methyl]benzoic acid Openeye Name: 4-[[4-oxo-6-[3-(p-tolyl)prop-1-ynyl]-1H-quinolin-3-yl]methyl]benzoic acid CAS Name: 4-[[6-[3-(4-methylphenyl)prop-1-ynyl]-4-oxo-1H-quinolin-3-yl]methyl]benzoic acid IUPAC Name: 4-[[6-[3-(4-methylphenyl)prop-1-ynyl]-4-oxo-1H-quinolin-3-yl]methyl]benzoic acid Traditional Name: 4-[[4-keto-6-[3-(p-tolyl)prop-1-ynyl]-1H-quinolin-3-yl]methyl]benzoic acid Formula: C27H21NO3 MolecularWeight: 407.46054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H21NO3/c1-18-5-7-19(8-6-18)3-2-4-20-11-14-25-24(16-20)26(29)23(17-28-25)15-21-9-12-22(13-10-21)27(30)31/h5-14,16-17H,3,15H2,1H3,(H,28,29)(H,30,31)