(phenylmethyl) 4-[3-(2-cyanophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenyl-propoxy]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[3-(2-cyanophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenyl-propoxy]piperidine-1-carboxylate Openeye Name: benzyl 4-[2-(tert-butoxycarbonylamino)-3-(2-cyanophenoxy)-1-phenyl-propoxy]piperidine-1-carboxylate CAS Name: 4-[3-(2-cyanophenoxy)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-phenylpropoxy]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[3-(2-cyanophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropoxy]piperidine-1-carboxylate Traditional Name: 4-[2-(tert-butoxycarbonylamino)-3-(2-cyanophenoxy)-1-phenyl-propoxy]piperidine-1-carboxylic acid benzyl ester Formula: C34H39N3O6 MolecularWeight: 585.68996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(COC1=CC=CC=C1C#N)C(C2=CC=CC=C2)OC3CCN(CC3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)NC(COC1=CC=CC=C1C#N)C(C2=CC=CC=C2)OC3CCN(CC3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C34H39N3O6/c1-34(2,3)43-32(38)36-29(24-40-30-17-11-10-16-27(30)22-35)31(26-14-8-5-9-15-26)42-28-18-20-37(21-19-28)33(39)41-23-25-12-6-4-7-13-25/h4-17,28-29,31H,18-21,23-24H2,1-3H3,(H,36,38)