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

Systemtic Name: 2-[4-[[3-butyl-7-(hydroxymethyl)-4-oxidanylidene-quinolin-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[3-butyl-7-(hydroxymethyl)-4-oxo-1-quinolyl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[3-butyl-7-(hydroxymethyl)-4-oxo-1-quinolinyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[3-butyl-7-(hydroxymethyl)-4-oxoquinolin-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(3-butyl-4-keto-7-methylol-1-quinolyl)methyl]phenyl]benzoic acid Formula: C28H27NO4 MolecularWeight: 441.51828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27NO4/c1-2-3-6-22-17-29(26-15-20(18-30)11-14-25(26)27(22)31)16-19-9-12-21(13-10-19)23-7-4-5-8-24(23)28(32)33/h4-5,7-15,17,30H,2-3,6,16,18H2,1H3,(H,32,33)