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

Systemtic Name: 2-[4-[(3-butyl-7-carboxyoxy-4-oxidanylidene-quinolin-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(3-butyl-7-carboxyoxy-4-oxo-1-quinolyl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(3-butyl-7-carboxyoxy-4-oxo-1-quinolinyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(3-butyl-7-carboxyoxy-4-oxoquinolin-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(3-butyl-7-carboxyoxy-4-keto-1-quinolyl)methyl]phenyl]benzoic acid Formula: C28H25NO6 MolecularWeight: 471.5012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H25NO6/c1-2-3-6-20-17-29(25-15-21(35-28(33)34)13-14-24(25)26(20)30)16-18-9-11-19(12-10-18)22-7-4-5-8-23(22)27(31)32/h4-5,7-15,17H,2-3,6,16H2,1H3,(H,31,32)(H,33,34)