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

Systemtic Name: 4-[[6-[3-(3-methylphenyl)prop-1-ynyl]-4-oxidanylidene-1H-quinolin-3-yl]methyl]benzoic acid Openeye Name: 4-[[6-[3-(m-tolyl)prop-1-ynyl]-4-oxo-1H-quinolin-3-yl]methyl]benzoic acid CAS Name: 4-[[6-[3-(3-methylphenyl)prop-1-ynyl]-4-oxo-1H-quinolin-3-yl]methyl]benzoic acid IUPAC Name: 4-[[6-[3-(3-methylphenyl)prop-1-ynyl]-4-oxo-1H-quinolin-3-yl]methyl]benzoic acid Traditional Name: 4-[[4-keto-6-[3-(m-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(=CC=C1)CC#CC2=CC3=C(C=C2)NC=C(C3=O)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C27H21NO3/c1-18-4-2-5-19(14-18)6-3-7-20-10-13-25-24(16-20)26(29)23(17-28-25)15-21-8-11-22(12-9-21)27(30)31/h2,4-5,8-14,16-17H,6,15H2,1H3,(H,28,29)(H,30,31)