2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-3-(phenylmethyl)piperazin-1-yl]hexanoic acid

Systemtic Name: 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-3-(phenylmethyl)piperazin-1-yl]hexanoic acid Openeye Name: 2-(3-benzyl-4-tert-butoxycarbonyl-piperazin-1-yl)hexanoic acid CAS Name: 2-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-(phenylmethyl)-1-piperazinyl]hexanoic acid IUPAC Name: 2-[3-benzyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]hexanoic acid Traditional Name: 2-(3-benzyl-4-tert-butoxycarbonyl-piperazino)hexanoic acid Formula: C22H34N2O4 MolecularWeight: 390.51636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)N1CCN(C(C1)CC2=CC=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCC(C(=O)O)N1CCN(C(C1)CC2=CC=CC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H34N2O4/c1-5-6-12-19(20(25)26)23-13-14-24(21(27)28-22(2,3)4)18(16-23)15-17-10-8-7-9-11-17/h7-11,18-19H,5-6,12-16H2,1-4H3,(H,25,26)