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

Systemtic Name: 5-[2-chloranyl-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propoxy]pyridin-3-yl]-3-methyl-indazole-1-carboxylic acid Openeye Name: 5-[5-[2-(tert-butoxycarbonylamino)-3-phenyl-propoxy]-2-chloro-3-pyridyl]-3-methyl-indazole-1-carboxylic acid CAS Name: 5-[2-chloro-5-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropoxy]-3-pyridinyl]-3-methyl-1-indazolecarboxylic acid IUPAC Name: 5-[2-chloro-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropoxy]pyridin-3-yl]-3-methylindazole-1-carboxylic acid Traditional Name: 5-[5-[2-(tert-butoxycarbonylamino)-3-phenyl-propoxy]-2-chloro-3-pyridyl]-3-methyl-indazole-1-carboxylic acid Formula: C28H29ClN4O5 MolecularWeight: 537.00666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(C=C2)C3=CC(=CN=C3Cl)OCC(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=C3Cl)OCC(CC4=CC=CC=C4)NC(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C28H29ClN4O5/c1-17-22-13-19(10-11-24(22)33(32-17)27(35)36)23-14-21(15-30-25(23)29)37-16-20(12-18-8-6-5-7-9-18)31-26(34)38-28(2,3)4/h5-11,13-15,20H,12,16H2,1-4H3,(H,31,34)(H,35,36)