methyl 1-[2-[4-(3,5-dimethylpiperidin-1-yl)-3-nitro-phenyl]carbonyloxyethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[4-(3,5-dimethylpiperidin-1-yl)-3-nitro-phenyl]carbonyloxyethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[4-(3,5-dimethyl-1-piperidyl)-3-nitro-benzoyl]oxyacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[4-(3,5-dimethyl-1-piperidinyl)-3-nitrophenyl]-oxomethoxy]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[4-(3,5-dimethylpiperidin-1-yl)-3-nitrobenzoyl]oxyacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[4-(3,5-dimethylpiperidino)-3-nitro-benzoyl]oxyacetyl]isonipecotic acid methyl ester Formula: C23H31N3O7 MolecularWeight: 461.50814

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)N3CCC(CC3)C(=O)OC)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)N3CCC(CC3)C(=O)OC)[N+](=O)[O-])C

InChI

InChI=1S/C23H31N3O7/c1-15-10-16(2)13-25(12-15)19-5-4-18(11-20(19)26(30)31)23(29)33-14-21(27)24-8-6-17(7-9-24)22(28)32-3/h4-5,11,15-17H,6-10,12-14H2,1-3H3