3-[(1-cyclopentylindazol-6-yl)-(pyridin-3-ylmethyl)amino]benzoic acid

Systemtic Name: 3-[(1-cyclopentylindazol-6-yl)-(pyridin-3-ylmethyl)amino]benzoic acid Openeye Name: 3-[(1-cyclopentylindazol-6-yl)-(3-pyridylmethyl)amino]benzoic acid CAS Name: 3-[(1-cyclopentyl-6-indazolyl)-(3-pyridinylmethyl)amino]benzoic acid IUPAC Name: 3-[(1-cyclopentylindazol-6-yl)-(pyridin-3-ylmethyl)amino]benzoic acid Traditional Name: 3-[(1-cyclopentylindazol-6-yl)-(3-pyridylmethyl)amino]benzoic acid Formula: C25H24N4O2 MolecularWeight: 412.48366

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C3=C(C=CC(=C3)N(CC4=CN=CC=C4)C5=CC=CC(=C5)C(=O)O)C=N2

Isomeric SMILES

C1CCC(C1)N2C3=C(C=CC(=C3)N(CC4=CN=CC=C4)C5=CC=CC(=C5)C(=O)O)C=N2

InChI

InChI=1S/C25H24N4O2/c30-25(31)19-6-3-9-22(13-19)28(17-18-5-4-12-26-15-18)23-11-10-20-16-27-29(24(20)14-23)21-7-1-2-8-21/h3-6,9-16,21H,1-2,7-8,17H2,(H,30,31)