2,2-dimethyl-3-oxidanylidene-3-(4-phenylmethoxycarbonylpiperazin-1-yl)propanoic acid

Systemtic Name: 2,2-dimethyl-3-oxidanylidene-3-(4-phenylmethoxycarbonylpiperazin-1-yl)propanoic acid Openeye Name: 3-(4-benzyloxycarbonylpiperazin-1-yl)-2,2-dimethyl-3-oxo-propanoic acid CAS Name: 2,2-dimethyl-3-oxo-3-(4-phenylmethoxycarbonyl-1-piperazinyl)propanoic acid IUPAC Name: 2,2-dimethyl-3-oxo-3-(4-phenylmethoxycarbonylpiperazin-1-yl)propanoic acid Traditional Name: 3-(4-carbobenzoxypiperazino)-3-keto-2,2-dimethyl-propionic acid Formula: C17H22N2O5 MolecularWeight: 334.36698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N1CCN(CC1)C(=O)OCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)(C(=O)N1CCN(CC1)C(=O)OCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C17H22N2O5/c1-17(2,15(21)22)14(20)18-8-10-19(11-9-18)16(23)24-12-13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3,(H,21,22)