5-[(3-butylcinnolin-4-yl)methyl]-2-phenyl-benzoic acid

Systemtic Name: 5-[(3-butylcinnolin-4-yl)methyl]-2-phenyl-benzoic acid Openeye Name: 5-[(3-butylcinnolin-4-yl)methyl]-2-phenyl-benzoic acid CAS Name: 5-[(3-butyl-4-cinnolinyl)methyl]-2-phenylbenzoic acid IUPAC Name: 5-[(3-butylcinnolin-4-yl)methyl]-2-phenylbenzoic acid Traditional Name: 5-[(3-butylcinnolin-4-yl)methyl]-2-phenyl-benzoic acid Formula: C26H24N2O2 MolecularWeight: 396.48096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2N=N1)CC3=CC(=C(C=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2N=N1)CC3=CC(=C(C=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C26H24N2O2/c1-2-3-12-25-22(21-11-7-8-13-24(21)27-28-25)16-18-14-15-20(23(17-18)26(29)30)19-9-5-4-6-10-19/h4-11,13-15,17H,2-3,12,16H2,1H3,(H,29,30)