(phenylmethyl) (2S,4R)-2-[(4-ethoxycarbonylphenoxy)methyl]-4-oxidanyl-pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S,4R)-2-[(4-ethoxycarbonylphenoxy)methyl]-4-oxidanyl-pyrrolidine-1-carboxylate Openeye Name: benzyl (2S,4R)-2-[(4-ethoxycarbonylphenoxy)methyl]-4-hydroxy-pyrrolidine-1-carboxylate CAS Name: (2S,4R)-2-[(4-ethoxycarbonylphenoxy)methyl]-4-hydroxy-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,4R)-2-[(4-ethoxycarbonylphenoxy)methyl]-4-hydroxypyrrolidine-1-carboxylate Traditional Name: (2S,4R)-2-[(4-carbethoxyphenoxy)methyl]-4-hydroxy-pyrrolidine-1-carboxylic acid benzyl ester Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OCC2CC(CN2C(=O)OCC3=CC=CC=C3)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC[C@@H]2C[C@H](CN2C(=O)OCC3=CC=CC=C3)O

InChI

InChI=1S/C22H25NO6/c1-2-27-21(25)17-8-10-20(11-9-17)28-15-18-12-19(24)13-23(18)22(26)29-14-16-6-4-3-5-7-16/h3-11,18-19,24H,2,12-15H2,1H3/t18-,19+/m0/s1