methyl 4-[2-azanyl-3-cyano-6-(4-methoxyphenyl)pyridin-4-yl]benzoate

Systemtic Name: methyl 4-[2-azanyl-3-cyano-6-(4-methoxyphenyl)pyridin-4-yl]benzoate Openeye Name: methyl 4-[2-amino-3-cyano-6-(4-methoxyphenyl)-4-pyridyl]benzoate CAS Name: 4-[2-amino-3-cyano-6-(4-methoxyphenyl)-4-pyridinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-amino-3-cyano-6-(4-methoxyphenyl)pyridin-4-yl]benzoate Traditional Name: 4-[2-amino-3-cyano-6-(4-methoxyphenyl)-4-pyridyl]benzoic acid methyl ester Formula: C21H17N3O3 MolecularWeight: 359.37798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O3/c1-26-16-9-7-14(8-10-16)19-11-17(18(12-22)20(23)24-19)13-3-5-15(6-4-13)21(25)27-2/h3-11H,1-2H3,(H2,23,24)