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

Systemtic Name: 4-[[6-[3-(4-cyanophenyl)prop-1-ynyl]-4-oxidanylidene-1H-quinolin-3-yl]methyl]benzoic acid Openeye Name: 4-[[6-[3-(4-cyanophenyl)prop-1-ynyl]-4-oxo-1H-quinolin-3-yl]methyl]benzoic acid CAS Name: 4-[[6-[3-(4-cyanophenyl)prop-1-ynyl]-4-oxo-1H-quinolin-3-yl]methyl]benzoic acid IUPAC Name: 4-[[6-[3-(4-cyanophenyl)prop-1-ynyl]-4-oxo-1H-quinolin-3-yl]methyl]benzoic acid Traditional Name: 4-[[6-[3-(4-cyanophenyl)prop-1-ynyl]-4-keto-1H-quinolin-3-yl]methyl]benzoic acid Formula: C27H18N2O3 MolecularWeight: 418.44342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#CC2=CC3=C(C=C2)NC=C(C3=O)CC4=CC=C(C=C4)C(=O)O)C#N

Isomeric SMILES

C1=CC(=CC=C1CC#CC2=CC3=C(C=C2)NC=C(C3=O)CC4=CC=C(C=C4)C(=O)O)C#N

InChI

InChI=1S/C27H18N2O3/c28-16-21-6-4-18(5-7-21)2-1-3-19-10-13-25-24(15-19)26(30)23(17-29-25)14-20-8-11-22(12-9-20)27(31)32/h4-13,15,17H,2,14H2,(H,29,30)(H,31,32)