(4,5-dimethoxy-2-methyl-phenyl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate

Systemtic Name: (4,5-dimethoxy-2-methyl-phenyl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate Openeye Name: (4,5-dimethoxy-2-methyl-phenyl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate CAS Name: 1-(2-nitrophenyl)-4-piperidinecarboxylic acid (4,5-dimethoxy-2-methylphenyl)methyl ester IUPAC Name: (4,5-dimethoxy-2-methylphenyl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(2-nitrophenyl)isonipecotic acid (4,5-dimethoxy-2-methyl-benzyl) ester Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1COC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-])OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1COC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-])OC)OC

InChI

InChI=1S/C22H26N2O6/c1-15-12-20(28-2)21(29-3)13-17(15)14-30-22(25)16-8-10-23(11-9-16)18-6-4-5-7-19(18)24(26)27/h4-7,12-13,16H,8-11,14H2,1-3H3