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

Systemtic Name: [(1S)-2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl] 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [(1S)-2-(1H-indol-3-yl)-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-(1H-indol-3-yl)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 4-(4-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(4-methylpiperidino)-3-nitro-benzoic acid [(1S)-2-(1H-indol-3-yl)-2-keto-1-phenyl-ethyl] ester Formula: C29H27N3O5 MolecularWeight: 497.54178

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC(C3=CC=CC=C3)C(=O)C4=CNC5=CC=CC=C54)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)O[C@@H](C3=CC=CC=C3)C(=O)C4=CNC5=CC=CC=C54)[N+](=O)[O-]

InChI

InChI=1S/C29H27N3O5/c1-19-13-15-31(16-14-19)25-12-11-21(17-26(25)32(35)36)29(34)37-28(20-7-3-2-4-8-20)27(33)23-18-30-24-10-6-5-9-22(23)24/h2-12,17-19,28,30H,13-16H2,1H3/t28-/m0/s1