[2-[cyclohexyl(ethyl)amino]-2-oxidanylidene-ethyl] 4-[(3R)-3-methylpiperidin-1-yl]-3-nitro-benzoate

Systemtic Name: [2-[cyclohexyl(ethyl)amino]-2-oxidanylidene-ethyl] 4-[(3R)-3-methylpiperidin-1-yl]-3-nitro-benzoate Openeye Name: [2-[cyclohexyl(ethyl)amino]-2-oxo-ethyl] 4-[(3R)-3-methyl-1-piperidyl]-3-nitro-benzoate CAS Name: 4-[(3R)-3-methyl-1-piperidinyl]-3-nitrobenzoic acid [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 4-[(3R)-3-methylpiperidin-1-yl]-3-nitrobenzoate Traditional Name: 4-[(3R)-3-methylpiperidino]-3-nitro-benzoic acid [2-[cyclohexyl(ethyl)amino]-2-keto-ethyl] ester Formula: C23H33N3O5 MolecularWeight: 431.52522

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCCCC1)C(=O)COC(=O)C2=CC(=C(C=C2)N3CCCC(C3)C)[N+](=O)[O-]

Isomeric SMILES

CCN(C1CCCCC1)C(=O)COC(=O)C2=CC(=C(C=C2)N3CCC[C@H](C3)C)[N+](=O)[O-]

InChI

InChI=1S/C23H33N3O5/c1-3-25(19-9-5-4-6-10-19)22(27)16-31-23(28)18-11-12-20(21(14-18)26(29)30)24-13-7-8-17(2)15-24/h11-12,14,17,19H,3-10,13,15-16H2,1-2H3/t17-/m1/s1