4-[(3-butyl-4-oxidanylidene-quinolin-1-yl)methyl]benzoic acid

Systemtic Name: 4-[(3-butyl-4-oxidanylidene-quinolin-1-yl)methyl]benzoic acid Openeye Name: 4-[(3-butyl-4-oxo-1-quinolyl)methyl]benzoic acid CAS Name: 4-[(3-butyl-4-oxo-1-quinolinyl)methyl]benzoic acid IUPAC Name: 4-[(3-butyl-4-oxoquinolin-1-yl)methyl]benzoic acid Traditional Name: 4-[(3-butyl-4-keto-1-quinolyl)methyl]benzoic acid Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN(C2=CC=CC=C2C1=O)CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCC1=CN(C2=CC=CC=C2C1=O)CC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H21NO3/c1-2-3-6-17-14-22(19-8-5-4-7-18(19)20(17)23)13-15-9-11-16(12-10-15)21(24)25/h4-5,7-12,14H,2-3,6,13H2,1H3,(H,24,25)