dimethyl (3Z,5E,7E)-1-[(4-methoxyphenyl)methyl]-2,4-dimethyl-2H-azocine-6,7-dicarboxylate

Systemtic Name: dimethyl (3Z,5E,7E)-1-[(4-methoxyphenyl)methyl]-2,4-dimethyl-2H-azocine-6,7-dicarboxylate Openeye Name: dimethyl (3Z,5E,7E)-1-[(4-methoxyphenyl)methyl]-2,4-dimethyl-2H-azocine-6,7-dicarboxylate CAS Name: (3Z,5E,7E)-1-[(4-methoxyphenyl)methyl]-2,4-dimethyl-2H-azocine-6,7-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (3Z,5E,7E)-1-[(4-methoxyphenyl)methyl]-2,4-dimethyl-2H-azocine-6,7-dicarboxylate Traditional Name: (3Z,5E,7E)-2,4-dimethyl-1-p-anisyl-2H-azocine-6,7-dicarboxylic acid dimethyl ester Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(C=C(C(=CN1CC2=CC=C(C=C2)OC)C(=O)OC)C(=O)OC)C

Isomeric SMILES

CC1/C=C(\C=C(/C(=C\N1CC2=CC=C(C=C2)OC)/C(=O)OC)\C(=O)OC)/C

InChI

InChI=1S/C21H25NO5/c1-14-10-15(2)22(12-16-6-8-17(25-3)9-7-16)13-19(21(24)27-5)18(11-14)20(23)26-4/h6-11,13,15H,12H2,1-5H3/b14-10-,18-11+,19-13+