methyl 3-[3-cyano-2-methoxy-6-(4-methoxyphenyl)pyridin-4-yl]azulene-1-carboxylate

Systemtic Name: methyl 3-[3-cyano-2-methoxy-6-(4-methoxyphenyl)pyridin-4-yl]azulene-1-carboxylate Openeye Name: methyl 3-[3-cyano-2-methoxy-6-(4-methoxyphenyl)-4-pyridyl]azulene-1-carboxylate CAS Name: 3-[3-cyano-2-methoxy-6-(4-methoxyphenyl)-4-pyridinyl]-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-[3-cyano-2-methoxy-6-(4-methoxyphenyl)pyridin-4-yl]azulene-1-carboxylate Traditional Name: 3-[3-cyano-2-methoxy-6-(4-methoxyphenyl)-4-pyridyl]azulene-1-carboxylic acid methyl ester Formula: C26H20N2O4 MolecularWeight: 424.448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC(=C4C3=CC=CC=C4)C(=O)OC)C#N)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC(=C4C3=CC=CC=C4)C(=O)OC)C#N)OC

InChI

InChI=1S/C26H20N2O4/c1-30-17-11-9-16(10-12-17)24-14-21(23(15-27)25(28-24)31-2)20-13-22(26(29)32-3)19-8-6-4-5-7-18(19)20/h4-14H,1-3H3