(2-oxidanylidene-2-piperidin-1-yl-ethyl) 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-nitro-benzoate

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-nitro-benzoate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] 4-[(3R,5R)-3,5-dimethyl-1-piperidyl]-3-nitro-benzoate CAS Name: 4-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-3-nitrobenzoic acid [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-nitrobenzoate Traditional Name: 4-[(3R,5R)-3,5-dimethylpiperidino]-3-nitro-benzoic acid (2-keto-2-piperidino-ethyl) ester Formula: C21H29N3O5 MolecularWeight: 403.47206

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)N3CCCCC3)[N+](=O)[O-])C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)N3CCCCC3)[N+](=O)[O-])C

InChI

InChI=1S/C21H29N3O5/c1-15-10-16(2)13-23(12-15)18-7-6-17(11-19(18)24(27)28)21(26)29-14-20(25)22-8-4-3-5-9-22/h6-7,11,15-16H,3-5,8-10,12-14H2,1-2H3/t15-,16-/m1/s1