(phenylmethyl) (2S,3R)-3-(3-nitropropyl)-1-[(1S)-1-phenylethyl]pyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) (2S,3R)-3-(3-nitropropyl)-1-[(1S)-1-phenylethyl]pyrrolidine-2-carboxylate Openeye Name: benzyl (2S,3R)-3-(3-nitropropyl)-1-[(1S)-1-phenylethyl]pyrrolidine-2-carboxylate CAS Name: (2S,3R)-3-(3-nitropropyl)-1-[(1S)-1-phenylethyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,3R)-3-(3-nitropropyl)-1-[(1S)-1-phenylethyl]pyrrolidine-2-carboxylate Traditional Name: (2S,3R)-3-(3-nitropropyl)-1-[(1S)-1-phenylethyl]pyrrolidine-2-carboxylic acid benzyl ester Formula: C23H28N2O4 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2CCC(C2C(=O)OCC3=CC=CC=C3)CCC[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)N2CC[C@H]([C@H]2C(=O)OCC3=CC=CC=C3)CCC[N+](=O)[O-]

InChI

InChI=1S/C23H28N2O4/c1-18(20-11-6-3-7-12-20)24-16-14-21(13-8-15-25(27)28)22(24)23(26)29-17-19-9-4-2-5-10-19/h2-7,9-12,18,21-22H,8,13-17H2,1H3/t18-,21+,22-/m0/s1