[(1S)-2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: [(1S)-2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenyl-ethyl] 4-(4-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitrobenzoic acid [(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 4-(4-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(4-methylpiperidino)-3-nitro-benzoic acid [(1S)-2-(2,5-dimethylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C29H31N3O5 MolecularWeight: 501.57354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC(C3=CC=CC=C3)C(=O)NC4=C(C=CC(=C4)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)O[C@@H](C3=CC=CC=C3)C(=O)NC4=C(C=CC(=C4)C)C)[N+](=O)[O-]

InChI

InChI=1S/C29H31N3O5/c1-19-13-15-31(16-14-19)25-12-11-23(18-26(25)32(35)36)29(34)37-27(22-7-5-4-6-8-22)28(33)30-24-17-20(2)9-10-21(24)3/h4-12,17-19,27H,13-16H2,1-3H3,(H,30,33)/t27-/m0/s1