4-[(3-butylcinnolin-4-yl)methyl]benzoic acid

Systemtic Name: 4-[(3-butylcinnolin-4-yl)methyl]benzoic acid Openeye Name: 4-[(3-butylcinnolin-4-yl)methyl]benzoic acid CAS Name: 4-[(3-butyl-4-cinnolinyl)methyl]benzoic acid IUPAC Name: 4-[(3-butylcinnolin-4-yl)methyl]benzoic acid Traditional Name: 4-[(3-butylcinnolin-4-yl)methyl]benzoic acid Formula: C20H20N2O2 MolecularWeight: 320.385

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2N=N1)CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2N=N1)CC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H20N2O2/c1-2-3-7-19-17(16-6-4-5-8-18(16)21-22-19)13-14-9-11-15(12-10-14)20(23)24/h4-6,8-12H,2-3,7,13H2,1H3,(H,23,24)