4-[(1-cyclopentyl-3-ethyl-indazol-6-yl)-(pyridin-3-ylmethyl)amino]benzoic acid

Systemtic Name: 4-[(1-cyclopentyl-3-ethyl-indazol-6-yl)-(pyridin-3-ylmethyl)amino]benzoic acid Openeye Name: 4-[(1-cyclopentyl-3-ethyl-indazol-6-yl)-(3-pyridylmethyl)amino]benzoic acid CAS Name: 4-[(1-cyclopentyl-3-ethyl-6-indazolyl)-(3-pyridinylmethyl)amino]benzoic acid IUPAC Name: 4-[(1-cyclopentyl-3-ethylindazol-6-yl)-(pyridin-3-ylmethyl)amino]benzoic acid Traditional Name: 4-[(1-cyclopentyl-3-ethyl-indazol-6-yl)-(3-pyridylmethyl)amino]benzoic acid Formula: C27H28N4O2 MolecularWeight: 440.53682

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C2=C1C=CC(=C2)N(CC3=CN=CC=C3)C4=CC=C(C=C4)C(=O)O)C5CCCC5

Isomeric SMILES

CCC1=NN(C2=C1C=CC(=C2)N(CC3=CN=CC=C3)C4=CC=C(C=C4)C(=O)O)C5CCCC5

InChI

InChI=1S/C27H28N4O2/c1-2-25-24-14-13-23(16-26(24)31(29-25)22-7-3-4-8-22)30(18-19-6-5-15-28-17-19)21-11-9-20(10-12-21)27(32)33/h5-6,9-17,22H,2-4,7-8,18H2,1H3,(H,32,33)