(phenylmethyl) (2S)-2-[[3-(3-methylphenoxy)-5-nitro-phenyl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-[[3-(3-methylphenoxy)-5-nitro-phenyl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[[3-(3-methylphenoxy)-5-nitro-phenyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[3-(3-methylphenoxy)-5-nitroanilino]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[3-(3-methylphenoxy)-5-nitrophenyl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[[3-(3-methylphenoxy)-5-nitro-phenyl]carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C26H25N3O6 MolecularWeight: 475.4932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3CCCN3C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)[C@@H]3CCCN3C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H25N3O6/c1-18-7-5-10-22(13-18)35-23-15-20(14-21(16-23)29(32)33)27-25(30)24-11-6-12-28(24)26(31)34-17-19-8-3-2-4-9-19/h2-5,7-10,13-16,24H,6,11-12,17H2,1H3,(H,27,30)/t24-/m0/s1