4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-4-oxidanylidene-2-(phenylmethyl)butanoic acid

Systemtic Name: 4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-4-oxidanylidene-2-(phenylmethyl)butanoic acid Openeye Name: 2-benzyl-4-(4-tert-butoxycarbonylpiperazin-1-yl)-4-oxo-butanoic acid CAS Name: 4-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]-4-oxo-2-(phenylmethyl)butanoic acid IUPAC Name: 2-benzyl-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-4-oxobutanoic acid Traditional Name: 2-benzyl-4-(4-tert-butoxycarbonylpiperazino)-4-keto-butyric acid Formula: C20H28N2O5 MolecularWeight: 376.44672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C20H28N2O5/c1-20(2,3)27-19(26)22-11-9-21(10-12-22)17(23)14-16(18(24)25)13-15-7-5-4-6-8-15/h4-8,16H,9-14H2,1-3H3,(H,24,25)