(4-methoxycarbonylphenyl)methyl 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: (4-methoxycarbonylphenyl)methyl 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: (4-methoxycarbonylphenyl)methyl 4-(3,5-dimethyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3,5-dimethyl-1-piperidinyl)-3-nitrobenzoic acid (4-methoxycarbonylphenyl)methyl ester IUPAC Name: (4-methoxycarbonylphenyl)methyl 4-(3,5-dimethylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3,5-dimethylpiperidino)-3-nitro-benzoic acid (4-carbomethoxybenzyl) ester Formula: C23H26N2O6 MolecularWeight: 426.46234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)OCC3=CC=C(C=C3)C(=O)OC)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)OCC3=CC=C(C=C3)C(=O)OC)[N+](=O)[O-])C

InChI

InChI=1S/C23H26N2O6/c1-15-10-16(2)13-24(12-15)20-9-8-19(11-21(20)25(28)29)23(27)31-14-17-4-6-18(7-5-17)22(26)30-3/h4-9,11,15-16H,10,12-14H2,1-3H3