3-butyl-1-[[4-(2-carboxyphenyl)phenyl]methyl]-4-oxidanylidene-quinoline-7-carboxylic acid

Systemtic Name: 3-butyl-1-[[4-(2-carboxyphenyl)phenyl]methyl]-4-oxidanylidene-quinoline-7-carboxylic acid Openeye Name: 3-butyl-1-[[4-(2-carboxyphenyl)phenyl]methyl]-4-oxo-quinoline-7-carboxylic acid CAS Name: 3-butyl-1-[[4-(2-carboxyphenyl)phenyl]methyl]-4-oxo-7-quinolinecarboxylic acid IUPAC Name: 3-butyl-1-[[4-(2-carboxyphenyl)phenyl]methyl]-4-oxoquinoline-7-carboxylic acid Traditional Name: 3-butyl-1-[4-(2-carboxyphenyl)benzyl]-4-keto-quinoline-7-carboxylic acid Formula: C28H25NO5 MolecularWeight: 455.5018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H25NO5/c1-2-3-6-21-17-29(25-15-20(27(31)32)13-14-24(25)26(21)30)16-18-9-11-19(12-10-18)22-7-4-5-8-23(22)28(33)34/h4-5,7-15,17H,2-3,6,16H2,1H3,(H,31,32)(H,33,34)