2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxidanylidene-3-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxidanylidene-3-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[3-[(4-benzyloxyphenyl)methyl]-4-tert-butoxycarbonyl-2-oxo-piperazin-1-yl]acetic acid CAS Name: 2-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-oxo-3-[(4-phenylmethoxyphenyl)methyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-3-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]acetic acid Traditional Name: 2-[3-(4-benzoxybenzyl)-4-tert-butoxycarbonyl-2-keto-piperazino]acetic acid Formula: C25H30N2O6 MolecularWeight: 454.5155

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C(=O)C1CC2=CC=C(C=C2)OCC3=CC=CC=C3)CC(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C(=O)C1CC2=CC=C(C=C2)OCC3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C25H30N2O6/c1-25(2,3)33-24(31)27-14-13-26(16-22(28)29)23(30)21(27)15-18-9-11-20(12-10-18)32-17-19-7-5-4-6-8-19/h4-12,21H,13-17H2,1-3H3,(H,28,29)