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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C#N)(C(C=C)C(=O)OC)C(=O)OC2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C#N)(C(C=C)C(=O)OC)C(=O)OC2=CC=CC=C2)OC

InChI

InChI=1S/C22H21NO6/c1-5-17(20(24)28-4)22(14-23,21(25)29-16-9-7-6-8-10-16)15-11-12-18(26-2)19(13-15)27-3/h5-13,17H,1H2,2-4H3