(4,5-dimethoxy-2-nitro-phenyl)-[4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone

Systemtic Name: (4,5-dimethoxy-2-nitro-phenyl)-[4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone Openeye Name: (4,5-dimethoxy-2-nitro-phenyl)-[4-[2-(4-hydroxyphenyl)ethyl]-1-piperidyl]methanone CAS Name: (4,5-dimethoxy-2-nitrophenyl)-[4-[2-(4-hydroxyphenyl)ethyl]-1-piperidinyl]methanone IUPAC Name: (4,5-dimethoxy-2-nitrophenyl)-[4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone Traditional Name: (4,5-dimethoxy-2-nitro-phenyl)-[4-[2-(4-hydroxyphenyl)ethyl]piperidino]methanone Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)N2CCC(CC2)CCC3=CC=C(C=C3)O)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)N2CCC(CC2)CCC3=CC=C(C=C3)O)[N+](=O)[O-])OC

InChI

InChI=1S/C22H26N2O6/c1-29-20-13-18(19(24(27)28)14-21(20)30-2)22(26)23-11-9-16(10-12-23)4-3-15-5-7-17(25)8-6-15/h5-8,13-14,16,25H,3-4,9-12H2,1-2H3