2-[(3-butyl-7-methoxy-2-oxidanyl-4-oxidanylidene-quinolin-1-yl)methyl]-6-phenyl-benzoic acid

Systemtic Name: 2-[(3-butyl-7-methoxy-2-oxidanyl-4-oxidanylidene-quinolin-1-yl)methyl]-6-phenyl-benzoic acid Openeye Name: 2-[(3-butyl-2-hydroxy-7-methoxy-4-oxo-1-quinolyl)methyl]-6-phenyl-benzoic acid CAS Name: 2-[(3-butyl-2-hydroxy-7-methoxy-4-oxo-1-quinolinyl)methyl]-6-phenylbenzoic acid IUPAC Name: 2-[(3-butyl-2-hydroxy-7-methoxy-4-oxoquinolin-1-yl)methyl]-6-phenylbenzoic acid Traditional Name: 2-[(3-butyl-2-hydroxy-4-keto-7-methoxy-1-quinolyl)methyl]-6-phenyl-benzoic acid Formula: C28H27NO5 MolecularWeight: 457.51768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(C2=C(C1=O)C=CC(=C2)OC)CC3=CC=CC(=C3C(=O)O)C4=CC=CC=C4)O

Isomeric SMILES

CCCCC1=C(N(C2=C(C1=O)C=CC(=C2)OC)CC3=CC=CC(=C3C(=O)O)C4=CC=CC=C4)O

InChI

InChI=1S/C28H27NO5/c1-3-4-12-23-26(30)22-15-14-20(34-2)16-24(22)29(27(23)31)17-19-11-8-13-21(25(19)28(32)33)18-9-6-5-7-10-18/h5-11,13-16,31H,3-4,12,17H2,1-2H3,(H,32,33)