(phenylmethyl) (2S)-2-[[3-(3,4-dimethoxyphenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-[[3-(3,4-dimethoxyphenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[[3-(3,4-dimethoxyphenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[3-(3,4-dimethoxyphenyl)anilino]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[3-(3,4-dimethoxyphenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[[3-(3,4-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=C(C=C1)C2=CC(=CC=C2)NC(=O)C3CCCN3C(=O)OCC4=CC=CC=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O5/c1-32-24-14-13-21(17-25(24)33-2)20-10-6-11-22(16-20)28-26(30)23-12-7-15-29(23)27(31)34-18-19-8-4-3-5-9-19/h3-6,8-11,13-14,16-17,23H,7,12,15,18H2,1-2H3,(H,28,30)/t23-/m0/s1