2-[4-[[3-butyl-7-(carboxymethyl)-4-oxidanylidene-quinolin-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[3-butyl-7-(carboxymethyl)-4-oxidanylidene-quinolin-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[3-butyl-7-(carboxymethyl)-4-oxo-1-quinolyl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[3-butyl-7-(carboxymethyl)-4-oxo-1-quinolinyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[3-butyl-7-(carboxymethyl)-4-oxoquinolin-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[3-butyl-7-(carboxymethyl)-4-keto-1-quinolyl]methyl]phenyl]benzoic acid Formula: C29H27NO5 MolecularWeight: 469.52838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN(C2=C(C1=O)C=CC(=C2)CC(=O)O)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CCCCC1=CN(C2=C(C1=O)C=CC(=C2)CC(=O)O)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C29H27NO5/c1-2-3-6-22-18-30(26-15-20(16-27(31)32)11-14-25(26)28(22)33)17-19-9-12-21(13-10-19)23-7-4-5-8-24(23)29(34)35/h4-5,7-15,18H,2-3,6,16-17H2,1H3,(H,31,32)(H,34,35)