O4-[4-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]phenyl] O1-methyl butanedioate

Systemtic Name: O4-[4-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]phenyl] O1-methyl butanedioate Openeye Name: O4-[4-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)vinyl]phenyl] O1-methyl butanedioate CAS Name: butanedioic acid O4-[4-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]phenyl] ester O1-methyl ester IUPAC Name: 4-O-[4-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]phenyl] 1-O-methyl butanedioate Traditional Name: succinic acid O4-[4-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)vinyl]phenyl] ester O1-methyl ester Formula: C22H21NO6 MolecularWeight: 395.40524

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=CC2=CC=C(C=C2)OC(=O)CCC(=O)OC)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C(=C/C2=CC=C(C=C2)OC(=O)CCC(=O)OC)/C#N)OC

InChI

InChI=1S/C22H21NO6/c1-26-19-9-6-16(13-20(19)27-2)17(14-23)12-15-4-7-18(8-5-15)29-22(25)11-10-21(24)28-3/h4-9,12-13H,10-11H2,1-3H3/b17-12+