2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]carbonyloxy-3-phenyl-propanoic acid

Systemtic Name: 2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]carbonyloxy-3-phenyl-propanoic acid Openeye Name: 2-[4-[(tert-butoxycarbonylamino)methyl]piperidine-1-carbonyl]oxy-3-phenyl-propanoic acid CAS Name: 2-[[4-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-1-piperidinyl]-oxomethoxy]-3-phenylpropanoic acid IUPAC Name: 2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-1-carbonyl]oxy-3-phenylpropanoic acid Traditional Name: 2-[4-[(tert-butoxycarbonylamino)methyl]piperidine-1-carbonyl]oxy-3-phenyl-propionic acid Formula: C21H30N2O6 MolecularWeight: 406.4727

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1CCN(CC1)C(=O)OC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NCC1CCN(CC1)C(=O)OC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H30N2O6/c1-21(2,3)29-19(26)22-14-16-9-11-23(12-10-16)20(27)28-17(18(24)25)13-15-7-5-4-6-8-15/h4-8,16-17H,9-14H2,1-3H3,(H,22,26)(H,24,25)