4-[3-[[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]piperidine-3-carboxylic acid

Systemtic Name: 4-[3-[[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]piperidine-3-carboxylic acid Openeye Name: 4-[3-[[bis(tert-butoxycarbonyl)amino]methyl]phenyl]piperidine-3-carboxylic acid CAS Name: 4-[3-[[bis[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]phenyl]-3-piperidinecarboxylic acid IUPAC Name: 4-[3-[[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]piperidine-3-carboxylic acid Traditional Name: 4-[3-[[bis(tert-butoxycarbonyl)amino]methyl]phenyl]nipecotic acid Formula: C23H34N2O6 MolecularWeight: 434.52586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CC1=CC=CC(=C1)C2CCNCC2C(=O)O)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N(CC1=CC=CC(=C1)C2CCNCC2C(=O)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H34N2O6/c1-22(2,3)30-20(28)25(21(29)31-23(4,5)6)14-15-8-7-9-16(12-15)17-10-11-24-13-18(17)19(26)27/h7-9,12,17-18,24H,10-11,13-14H2,1-6H3,(H,26,27)