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

Systemtic Name: [2-oxidanylidene-2-(phenethylamino)ethyl] 4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzoate Openeye Name: [2-oxo-2-(phenethylamino)ethyl] 4-[(3S)-3-methyl-1-piperidyl]-3-nitro-benzoate CAS Name: 4-[(3S)-3-methyl-1-piperidinyl]-3-nitrobenzoic acid [2-oxo-2-(phenethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(phenethylamino)ethyl] 4-[(3S)-3-methylpiperidin-1-yl]-3-nitrobenzoate Traditional Name: 4-[(3S)-3-methylpiperidino]-3-nitro-benzoic acid [2-keto-2-(phenethylamino)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)NCCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)NCCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H27N3O5/c1-17-6-5-13-25(15-17)20-10-9-19(14-21(20)26(29)30)23(28)31-16-22(27)24-12-11-18-7-3-2-4-8-18/h2-4,7-10,14,17H,5-6,11-13,15-16H2,1H3,(H,24,27)/t17-/m0/s1