3-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenyl-2-piperidin-4-yloxy-piperazine-1-carboxylic acid

Systemtic Name: 3-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenyl-2-piperidin-4-yloxy-piperazine-1-carboxylic acid Openeye Name: 3-tert-butoxycarbonyl-2-phenyl-2-(4-piperidyloxy)piperazine-1-carboxylic acid CAS Name: 3-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-phenyl-2-(4-piperidinyloxy)-1-piperazinecarboxylic acid IUPAC Name: 3-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenyl-2-piperidin-4-yloxypiperazine-1-carboxylic acid Traditional Name: 3-tert-butoxycarbonyl-2-phenyl-2-(4-piperidyloxy)piperazine-1-carboxylic acid Formula: C21H31N3O5 MolecularWeight: 405.48794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1C(N(CCN1)C(=O)O)(C2=CC=CC=C2)OC3CCNCC3

Isomeric SMILES

CC(C)(C)OC(=O)C1C(N(CCN1)C(=O)O)(C2=CC=CC=C2)OC3CCNCC3

InChI

InChI=1S/C21H31N3O5/c1-20(2,3)29-18(25)17-21(15-7-5-4-6-8-15,24(19(26)27)14-13-23-17)28-16-9-11-22-12-10-16/h4-8,16-17,22-23H,9-14H2,1-3H3,(H,26,27)