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

Systemtic Name: 4-[(3-butyl-4-oxidanylidene-cinnolin-1-yl)methyl]benzoic acid Openeye Name: 4-[(3-butyl-4-oxo-cinnolin-1-yl)methyl]benzoic acid CAS Name: 4-[(3-butyl-4-oxo-1-cinnolinyl)methyl]benzoic acid IUPAC Name: 4-[(3-butyl-4-oxocinnolin-1-yl)methyl]benzoic acid Traditional Name: 4-[(3-butyl-4-keto-cinnolin-1-yl)methyl]benzoic acid Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O3/c1-2-3-7-17-19(23)16-6-4-5-8-18(16)22(21-17)13-14-9-11-15(12-10-14)20(24)25/h4-6,8-12H,2-3,7,13H2,1H3,(H,24,25)