(phenylmethyl) (2S)-2-[[3-(2,6-dimethoxyphenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-[[3-(2,6-dimethoxyphenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[[3-(2,6-dimethoxyphenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[3-(2,6-dimethoxyphenyl)anilino]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[3-(2,6-dimethoxyphenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[[3-(2,6-dimethoxyphenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C27H28N2O5 MolecularWeight: 460.52162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C2=CC(=CC=C2)NC(=O)C3CCCN3C(=O)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C2=CC(=CC=C2)NC(=O)[C@@H]3CCCN3C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H28N2O5/c1-32-23-14-7-15-24(33-2)25(23)20-11-6-12-21(17-20)28-26(30)22-13-8-16-29(22)27(31)34-18-19-9-4-3-5-10-19/h3-7,9-12,14-15,17,22H,8,13,16,18H2,1-2H3,(H,28,30)/t22-/m0/s1