methyl (4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-2-methyl-5-oxidanylidene-1-(pyridin-3-ylmethyl)pyrrole-3-carboxylate

Systemtic Name: methyl (4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-2-methyl-5-oxidanylidene-1-(pyridin-3-ylmethyl)pyrrole-3-carboxylate Openeye Name: methyl (4Z)-4-[(3,4-dimethoxyphenyl)methylene]-2-methyl-5-oxo-1-(3-pyridylmethyl)pyrrole-3-carboxylate CAS Name: (4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-2-methyl-5-oxo-1-(3-pyridinylmethyl)-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl (4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-2-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrole-3-carboxylate Traditional Name: (4Z)-5-keto-2-methyl-1-(3-pyridylmethyl)-4-veratrylidene-2-pyrroline-3-carboxylic acid methyl ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC2=CC(=C(C=C2)OC)OC)C(=O)N1CC3=CN=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(/C(=C/C2=CC(=C(C=C2)OC)OC)/C(=O)N1CC3=CN=CC=C3)C(=O)OC

InChI

InChI=1S/C22H22N2O5/c1-14-20(22(26)29-4)17(10-15-7-8-18(27-2)19(11-15)28-3)21(25)24(14)13-16-6-5-9-23-12-16/h5-12H,13H2,1-4H3/b17-10-