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

Systemtic Name: methyl (1R,2S)-2-[(1R)-2-nitro-1-phenyl-propyl]-1-piperidin-1-yl-cyclopentane-1-carboxylate Openeye Name: methyl (1R,2S)-2-[(1R)-2-nitro-1-phenyl-propyl]-1-(1-piperidyl)cyclopentanecarboxylate CAS Name: (1R,2S)-2-[(1R)-2-nitro-1-phenylpropyl]-1-(1-piperidinyl)-1-cyclopentanecarboxylic acid methyl ester IUPAC Name: methyl (1R,2S)-2-[(1R)-2-nitro-1-phenylpropyl]-1-piperidin-1-ylcyclopentane-1-carboxylate Traditional Name: (1R,2S)-2-[(1R)-2-nitro-1-phenyl-propyl]-1-piperidino-cyclopentanecarboxylic acid methyl ester Formula: C21H30N2O4 MolecularWeight: 374.4739

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1CCCC1(C(=O)OC)N2CCCCC2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC([C@H]([C@@H]1CCC[C@@]1(C(=O)OC)N2CCCCC2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H30N2O4/c1-16(23(25)26)19(17-10-5-3-6-11-17)18-12-9-13-21(18,20(24)27-2)22-14-7-4-8-15-22/h3,5-6,10-11,16,18-19H,4,7-9,12-15H2,1-2H3/t16?,18-,19-,21+/m0/s1