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

Systemtic Name: (phenylmethyl) (3S,4R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-2-oxidanylidene-4-phenyl-piperidine-3-carboxylate Openeye Name: benzyl (3S,4R)-1-(2-tert-butoxy-2-oxo-ethyl)-2-oxo-4-phenyl-piperidine-3-carboxylate CAS Name: (3S,4R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxo-4-phenyl-3-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3S,4R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxo-4-phenylpiperidine-3-carboxylate Traditional Name: (3S,4R)-1-(2-tert-butoxy-2-keto-ethyl)-2-keto-4-phenyl-nipecotic acid benzyl ester Formula: C25H29NO5 MolecularWeight: 423.50146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1CCC(C(C1=O)C(=O)OCC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)CN1CC[C@H]([C@@H](C1=O)C(=O)OCC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H29NO5/c1-25(2,3)31-21(27)16-26-15-14-20(19-12-8-5-9-13-19)22(23(26)28)24(29)30-17-18-10-6-4-7-11-18/h4-13,20,22H,14-17H2,1-3H3/t20-,22-/m0/s1