dimethyl (3E,5E)-1-ethenyl-2-[(4-methoxyphenyl)methyl]-1H-2-benzazocine-4,5-dicarboxylate

Systemtic Name: dimethyl (3E,5E)-1-ethenyl-2-[(4-methoxyphenyl)methyl]-1H-2-benzazocine-4,5-dicarboxylate Openeye Name: dimethyl (3E,5E)-2-[(4-methoxyphenyl)methyl]-1-vinyl-1H-2-benzazocine-4,5-dicarboxylate CAS Name: (3E,5E)-1-ethenyl-2-[(4-methoxyphenyl)methyl]-1H-2-benzazocine-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (3E,5E)-1-ethenyl-2-[(4-methoxyphenyl)methyl]-1H-2-benzazocine-4,5-dicarboxylate Traditional Name: (3E,5E)-2-p-anisyl-1-vinyl-1H-2-benzazocine-4,5-dicarboxylic acid dimethyl ester Formula: C25H25NO5 MolecularWeight: 419.4697

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C=C(C(=CC3=CC=CC=C3C2C=C)C(=O)OC)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)CN2/C=C(\C(=C/C3=CC=CC=C3C2C=C)\C(=O)OC)/C(=O)OC

InChI

InChI=1S/C25H25NO5/c1-5-23-20-9-7-6-8-18(20)14-21(24(27)30-3)22(25(28)31-4)16-26(23)15-17-10-12-19(29-2)13-11-17/h5-14,16,23H,1,15H2,2-4H3/b21-14+,22-16+