2,6-bis(2,5-dimethoxyphenyl)-3-methyl-piperidin-4-one; ethanoic acid

Systemtic Name: 2,6-bis(2,5-dimethoxyphenyl)-3-methyl-piperidin-4-one; ethanoic acid Openeye Name: acetic acid; 2,6-bis(2,5-dimethoxyphenyl)-3-methyl-piperidin-4-one CAS Name: acetic acid; 2,6-bis(2,5-dimethoxyphenyl)-3-methyl-4-piperidinone IUPAC Name: acetic acid; 2,6-bis(2,5-dimethoxyphenyl)-3-methylpiperidin-4-one Traditional Name: acetic acid; 2,6-bis(2,5-dimethoxyphenyl)-3-methyl-4-piperidone Formula: C24H31NO7 MolecularWeight: 445.50544

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(NC(CC1=O)C2=C(C=CC(=C2)OC)OC)C3=C(C=CC(=C3)OC)OC.CC(=O)O

Isomeric SMILES

CC1C(NC(CC1=O)C2=C(C=CC(=C2)OC)OC)C3=C(C=CC(=C3)OC)OC.CC(=O)O

InChI

InChI=1S/C22H27NO5.C2H4O2/c1-13-19(24)12-18(16-10-14(25-2)6-8-20(16)27-4)23-22(13)17-11-15(26-3)7-9-21(17)28-5;1-2(3)4/h6-11,13,18,22-23H,12H2,1-5H3;1H3,(H,3,4)