methyl 4-[2-azanyl-3-cyano-6-(2,5-dimethoxyphenyl)pyridin-4-yl]benzoate

Systemtic Name: methyl 4-[2-azanyl-3-cyano-6-(2,5-dimethoxyphenyl)pyridin-4-yl]benzoate Openeye Name: methyl 4-[2-amino-3-cyano-6-(2,5-dimethoxyphenyl)-4-pyridyl]benzoate CAS Name: 4-[2-amino-3-cyano-6-(2,5-dimethoxyphenyl)-4-pyridinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-amino-3-cyano-6-(2,5-dimethoxyphenyl)pyridin-4-yl]benzoate Traditional Name: 4-[2-amino-3-cyano-6-(2,5-dimethoxyphenyl)-4-pyridyl]benzoic acid methyl ester Formula: C22H19N3O4 MolecularWeight: 389.40396

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2=NC(=C(C(=C2)C3=CC=C(C=C3)C(=O)OC)C#N)N

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2=NC(=C(C(=C2)C3=CC=C(C=C3)C(=O)OC)C#N)N

InChI

InChI=1S/C22H19N3O4/c1-27-15-8-9-20(28-2)17(10-15)19-11-16(18(12-23)21(24)25-19)13-4-6-14(7-5-13)22(26)29-3/h4-11H,1-3H3,(H2,24,25)