3-methyl-5-[5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propyl]amino]pyridin-3-yl]indazole-1-carboxylic acid

Systemtic Name: 3-methyl-5-[5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propyl]amino]pyridin-3-yl]indazole-1-carboxylic acid Openeye Name: 5-[5-[[2-(tert-butoxycarbonylamino)-3-phenyl-propyl]amino]-3-pyridyl]-3-methyl-indazole-1-carboxylic acid CAS Name: 3-methyl-5-[5-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropyl]amino]-3-pyridinyl]-1-indazolecarboxylic acid IUPAC Name: 3-methyl-5-[5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl]amino]pyridin-3-yl]indazole-1-carboxylic acid Traditional Name: 5-[5-[[2-(tert-butoxycarbonylamino)-3-phenyl-propyl]amino]-3-pyridyl]-3-methyl-indazole-1-carboxylic acid Formula: C28H31N5O4 MolecularWeight: 501.57684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(C=C2)C3=CC(=CN=C3)NCC(CC4=CC=CC=C4)NC(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

CC1=NN(C2=C1C=C(C=C2)C3=CC(=CN=C3)NCC(CC4=CC=CC=C4)NC(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C28H31N5O4/c1-18-24-14-20(10-11-25(24)33(32-18)27(35)36)21-13-22(16-29-15-21)30-17-23(12-19-8-6-5-7-9-19)31-26(34)37-28(2,3)4/h5-11,13-16,23,30H,12,17H2,1-4H3,(H,31,34)(H,35,36)