(4-nitrophenyl) 4-[bis(3,4-dimethoxyphenyl)-oxidanyl-methyl]piperidine-1-carboxylate

Systemtic Name: (4-nitrophenyl) 4-[bis(3,4-dimethoxyphenyl)-oxidanyl-methyl]piperidine-1-carboxylate Openeye Name: (4-nitrophenyl) 4-[bis(3,4-dimethoxyphenyl)-hydroxy-methyl]piperidine-1-carboxylate CAS Name: 4-[bis(3,4-dimethoxyphenyl)-hydroxymethyl]-1-piperidinecarboxylic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 4-[bis(3,4-dimethoxyphenyl)-hydroxymethyl]piperidine-1-carboxylate Traditional Name: 4-[bis(3,4-dimethoxyphenyl)-hydroxy-methyl]piperidine-1-carboxylic acid (4-nitrophenyl) ester Formula: C29H32N2O9 MolecularWeight: 552.57238

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2CCN(CC2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-])(C4=CC(=C(C=C4)OC)OC)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2CCN(CC2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-])(C4=CC(=C(C=C4)OC)OC)O)OC

InChI

InChI=1S/C29H32N2O9/c1-36-24-11-5-20(17-26(24)38-3)29(33,21-6-12-25(37-2)27(18-21)39-4)19-13-15-30(16-14-19)28(32)40-23-9-7-22(8-10-23)31(34)35/h5-12,17-19,33H,13-16H2,1-4H3