[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] 5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]benzoate

Systemtic Name: [2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] 5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]benzoate Openeye Name: [2-(1H-indol-3-yl)-2-oxo-ethyl] 2-(4-benzyl-1-piperidyl)-5-nitro-benzoate CAS Name: 5-nitro-2-[4-(phenylmethyl)-1-piperidinyl]benzoic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-benzylpiperidin-1-yl)-5-nitrobenzoate Traditional Name: 2-(4-benzylpiperidino)-5-nitro-benzoic acid [2-(1H-indol-3-yl)-2-keto-ethyl] ester Formula: C29H27N3O5 MolecularWeight: 497.54178

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)OCC(=O)C4=CNC5=CC=CC=C54

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)OCC(=O)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C29H27N3O5/c33-28(25-18-30-26-9-5-4-8-23(25)26)19-37-29(34)24-17-22(32(35)36)10-11-27(24)31-14-12-21(13-15-31)16-20-6-2-1-3-7-20/h1-11,17-18,21,30H,12-16,19H2