ethyl (3S,4R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(phenylmethyl)piperidine-4-carboxylate

Systemtic Name: ethyl (3S,4R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(phenylmethyl)piperidine-4-carboxylate Openeye Name: ethyl (3S,4R)-1-benzyl-3-(tert-butoxycarbonylamino)piperidine-4-carboxylate CAS Name: (3S,4R)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-(phenylmethyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S,4R)-1-benzyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate Traditional Name: (3S,4R)-1-benzyl-3-(tert-butoxycarbonylamino)isonipecotic acid ethyl ester Formula: C20H30N2O4 MolecularWeight: 362.4632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1NC(=O)OC(C)(C)C)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)[C@@H]1CCN(C[C@H]1NC(=O)OC(C)(C)C)CC2=CC=CC=C2

InChI

InChI=1S/C20H30N2O4/c1-5-25-18(23)16-11-12-22(13-15-9-7-6-8-10-15)14-17(16)21-19(24)26-20(2,3)4/h6-10,16-17H,5,11-14H2,1-4H3,(H,21,24)/t16-,17-/m1/s1