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

Systemtic Name: 5-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propoxy]pyridin-3-yl]benzotriazole-1-carboxylic acid Openeye Name: 5-[5-[2-(tert-butoxycarbonylamino)-3-phenyl-propoxy]-3-pyridyl]benzotriazole-1-carboxylic acid CAS Name: 5-[5-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropoxy]-3-pyridinyl]-1-benzotriazolecarboxylic acid IUPAC Name: 5-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropoxy]pyridin-3-yl]benzotriazole-1-carboxylic acid Traditional Name: 5-[5-[2-(tert-butoxycarbonylamino)-3-phenyl-propoxy]-3-pyridyl]benzotriazole-1-carboxylic acid Formula: C26H27N5O5 MolecularWeight: 489.52308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)COC2=CN=CC(=C2)C3=CC4=C(C=C3)N(N=N4)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)COC2=CN=CC(=C2)C3=CC4=C(C=C3)N(N=N4)C(=O)O

InChI

InChI=1S/C26H27N5O5/c1-26(2,3)36-24(32)28-20(11-17-7-5-4-6-8-17)16-35-21-12-19(14-27-15-21)18-9-10-23-22(13-18)29-30-31(23)25(33)34/h4-10,12-15,20H,11,16H2,1-3H3,(H,28,32)(H,33,34)