methyl (1R,2S)-2-[(1R)-2-nitro-1-phenyl-propyl]-1-pyrrolidin-1-yl-cyclopentane-1-carboxylate

Systemtic Name: methyl (1R,2S)-2-[(1R)-2-nitro-1-phenyl-propyl]-1-pyrrolidin-1-yl-cyclopentane-1-carboxylate Openeye Name: methyl (1R,2S)-2-[(1R)-2-nitro-1-phenyl-propyl]-1-pyrrolidin-1-yl-cyclopentanecarboxylate CAS Name: (1R,2S)-2-[(1R)-2-nitro-1-phenylpropyl]-1-(1-pyrrolidinyl)-1-cyclopentanecarboxylic acid methyl ester IUPAC Name: methyl (1R,2S)-2-[(1R)-2-nitro-1-phenylpropyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxylate Traditional Name: (1R,2S)-2-[(1R)-2-nitro-1-phenyl-propyl]-1-pyrrolidino-cyclopentanecarboxylic acid methyl ester Formula: C20H28N2O4 MolecularWeight: 360.44732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1CCCC1(C(=O)OC)N2CCCC2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC([C@H]([C@@H]1CCC[C@@]1(C(=O)OC)N2CCCC2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H28N2O4/c1-15(22(24)25)18(16-9-4-3-5-10-16)17-11-8-12-20(17,19(23)26-2)21-13-6-7-14-21/h3-5,9-10,15,17-18H,6-8,11-14H2,1-2H3/t15?,17-,18-,20+/m0/s1