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

Systemtic Name: 2-[4-[[3-butyl-7-(2-carboxyethyl)-4-oxidanylidene-quinolin-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[3-butyl-7-(2-carboxyethyl)-4-oxo-1-quinolyl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[3-butyl-7-(2-carboxyethyl)-4-oxo-1-quinolinyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[3-butyl-7-(2-carboxyethyl)-4-oxoquinolin-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[3-butyl-7-(2-carboxyethyl)-4-keto-1-quinolyl]methyl]phenyl]benzoic acid Formula: C30H29NO5 MolecularWeight: 483.55496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H29NO5/c1-2-3-6-23-19-31(27-17-20(12-16-28(32)33)11-15-26(27)29(23)34)18-21-9-13-22(14-10-21)24-7-4-5-8-25(24)30(35)36/h4-5,7-11,13-15,17,19H,2-3,6,12,16,18H2,1H3,(H,32,33)(H,35,36)