O5-[6-(4,4-diphenylpiperidin-1-yl)-1-ethyl-2,6-dimethyl-4-nitro-cyclohex-2-en-1-yl] O3-methyl pyridine-3,5-dicarboxylate

Systemtic Name: O5-[6-(4,4-diphenylpiperidin-1-yl)-1-ethyl-2,6-dimethyl-4-nitro-cyclohex-2-en-1-yl] O3-methyl pyridine-3,5-dicarboxylate Openeye Name: O5-[6-(4,4-diphenyl-1-piperidyl)-1-ethyl-2,6-dimethyl-4-nitro-cyclohex-2-en-1-yl] O3-methyl pyridine-3,5-dicarboxylate CAS Name: pyridine-3,5-dicarboxylic acid O5-[6-(4,4-diphenyl-1-piperidinyl)-1-ethyl-2,6-dimethyl-4-nitro-1-cyclohex-2-enyl] ester O3-methyl ester IUPAC Name: 5-O-[6-(4,4-diphenylpiperidin-1-yl)-1-ethyl-2,6-dimethyl-4-nitrocyclohex-2-en-1-yl] 3-O-methyl pyridine-3,5-dicarboxylate Traditional Name: pyridine-3,5-dicarboxylic acid O5-[6-(4,4-diphenylpiperidino)-1-ethyl-2,6-dimethyl-4-nitro-cyclohex-2-en-1-yl] ester O3-methyl ester Formula: C35H39N3O6 MolecularWeight: 597.70066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=CC(CC1(C)N2CCC(CC2)(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-])C)OC(=O)C5=CC(=CN=C5)C(=O)OC

Isomeric SMILES

CCC1(C(=CC(CC1(C)N2CCC(CC2)(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-])C)OC(=O)C5=CC(=CN=C5)C(=O)OC

InChI

InChI=1S/C35H39N3O6/c1-5-35(44-32(40)27-21-26(23-36-24-27)31(39)43-4)25(2)20-30(38(41)42)22-33(35,3)37-18-16-34(17-19-37,28-12-8-6-9-13-28)29-14-10-7-11-15-29/h6-15,20-21,23-24,30H,5,16-19,22H2,1-4H3