tert-butyl 4-[(1-cyclopentyl-3-ethyl-indazol-6-yl)-(pyridin-3-ylmethyl)amino]benzoate

Systemtic Name: tert-butyl 4-[(1-cyclopentyl-3-ethyl-indazol-6-yl)-(pyridin-3-ylmethyl)amino]benzoate Openeye Name: tert-butyl 4-[(1-cyclopentyl-3-ethyl-indazol-6-yl)-(3-pyridylmethyl)amino]benzoate CAS Name: 4-[(1-cyclopentyl-3-ethyl-6-indazolyl)-(3-pyridinylmethyl)amino]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(1-cyclopentyl-3-ethylindazol-6-yl)-(pyridin-3-ylmethyl)amino]benzoate Traditional Name: 4-[(1-cyclopentyl-3-ethyl-indazol-6-yl)-(3-pyridylmethyl)amino]benzoic acid tert-butyl ester Formula: C31H36N4O2 MolecularWeight: 496.64314

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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)OC(C)(C)C)C5CCCC5

Isomeric SMILES

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

InChI

InChI=1S/C31H36N4O2/c1-5-28-27-17-16-26(19-29(27)35(33-28)25-10-6-7-11-25)34(21-22-9-8-18-32-20-22)24-14-12-23(13-15-24)30(36)37-31(2,3)4/h8-9,12-20,25H,5-7,10-11,21H2,1-4H3