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

Systemtic Name: [2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzoate Openeye Name: [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-[(3S)-3-methyl-1-piperidyl]-3-nitro-benzoate CAS Name: 4-[(3S)-3-methyl-1-piperidinyl]-3-nitrobenzoic acid [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-[(3S)-3-methylpiperidin-1-yl]-3-nitrobenzoate Traditional Name: 4-[(3S)-3-methylpiperidino]-3-nitro-benzoic acid [2-keto-2-[[(1S)-1-phenylethyl]amino]ethyl] ester Formula: C23H27N3O5 MolecularWeight: 425.47758

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC(C)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)N[C@@H](C)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H27N3O5/c1-16-7-6-12-25(14-16)20-11-10-19(13-21(20)26(29)30)23(28)31-15-22(27)24-17(2)18-8-4-3-5-9-18/h3-5,8-11,13,16-17H,6-7,12,14-15H2,1-2H3,(H,24,27)/t16-,17-/m0/s1