4-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyphenyl]piperazine-1-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC=C(C=C2)N3CCN(CC3)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC=C(C=C2)N3CCN(CC3)C(=O)O

InChI

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