(phenylmethyl) 4-[3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperazine-1-carboxylate Openeye Name: benzyl 4-[2-(tert-butoxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]piperazine-1-carboxylate CAS Name: 4-[3-(4-hydroxyphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperazine-1-carboxylate Traditional Name: 4-[2-(tert-butoxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]piperazine-1-carboxylic acid benzyl ester Formula: C26H33N3O6 MolecularWeight: 483.55672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)O)C(=O)N2CCN(CC2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)O)C(=O)N2CCN(CC2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H33N3O6/c1-26(2,3)35-24(32)27-22(17-19-9-11-21(30)12-10-19)23(31)28-13-15-29(16-14-28)25(33)34-18-20-7-5-4-6-8-20/h4-12,22,30H,13-18H2,1-3H3,(H,27,32)