[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]benzoate

Systemtic Name: [2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]benzoate Openeye Name: [2-(2,5-dimethyl-1-phenyl-pyrrol-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-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl] 2-(4-benzylpiperidin-1-yl)-5-nitrobenzoate Traditional Name: 2-(4-benzylpiperidino)-5-nitro-benzoic acid [2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C33H33N3O5 MolecularWeight: 551.63222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCC(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C33H33N3O5/c1-23-19-29(24(2)35(23)27-11-7-4-8-12-27)32(37)22-41-33(38)30-21-28(36(39)40)13-14-31(30)34-17-15-26(16-18-34)20-25-9-5-3-6-10-25/h3-14,19,21,26H,15-18,20,22H2,1-2H3