(2-nitrophenyl) 4-[1-[2-(3,4-dimethoxyphenyl)ethanoyl]piperidin-4-yl]piperidine-1-carboxylate

Systemtic Name: (2-nitrophenyl) 4-[1-[2-(3,4-dimethoxyphenyl)ethanoyl]piperidin-4-yl]piperidine-1-carboxylate Openeye Name: (2-nitrophenyl) 4-[1-[2-(3,4-dimethoxyphenyl)acetyl]-4-piperidyl]piperidine-1-carboxylate CAS Name: 4-[1-[2-(3,4-dimethoxyphenyl)-1-oxoethyl]-4-piperidinyl]-1-piperidinecarboxylic acid (2-nitrophenyl) ester IUPAC Name: (2-nitrophenyl) 4-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]piperidine-1-carboxylate Traditional Name: 4-(1-homoveratroyl-4-piperidyl)piperidine-1-carboxylic acid (2-nitrophenyl) ester Formula: C27H33N3O7 MolecularWeight: 511.56682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)N2CCC(CC2)C3CCN(CC3)C(=O)OC4=CC=CC=C4[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)N2CCC(CC2)C3CCN(CC3)C(=O)OC4=CC=CC=C4[N+](=O)[O-])OC

InChI

InChI=1S/C27H33N3O7/c1-35-24-8-7-19(17-25(24)36-2)18-26(31)28-13-9-20(10-14-28)21-11-15-29(16-12-21)27(32)37-23-6-4-3-5-22(23)30(33)34/h3-8,17,20-21H,9-16,18H2,1-2H3