1-(3-cyanophenyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid

Systemtic Name: 1-(3-cyanophenyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid Openeye Name: 4-tert-butoxycarbonyl-1-(3-cyanophenyl)piperazine-2-carboxylic acid CAS Name: 1-(3-cyanophenyl)-4-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-piperazinecarboxylic acid IUPAC Name: 1-(3-cyanophenyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid Traditional Name: 4-tert-butoxycarbonyl-1-(3-cyanophenyl)piperazine-2-carboxylic acid Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C(C1)C(=O)O)C2=CC=CC(=C2)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C(C1)C(=O)O)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C17H21N3O4/c1-17(2,3)24-16(23)19-7-8-20(14(11-19)15(21)22)13-6-4-5-12(9-13)10-18/h4-6,9,14H,7-8,11H2,1-3H3,(H,21,22)