methyl 3-[5-cyano-6-methoxy-4-(3-methoxyphenyl)pyridin-2-yl]azulene-1-carboxylate

Systemtic Name: methyl 3-[5-cyano-6-methoxy-4-(3-methoxyphenyl)pyridin-2-yl]azulene-1-carboxylate Openeye Name: methyl 3-[5-cyano-6-methoxy-4-(3-methoxyphenyl)-2-pyridyl]azulene-1-carboxylate CAS Name: 3-[5-cyano-6-methoxy-4-(3-methoxyphenyl)-2-pyridinyl]-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-[5-cyano-6-methoxy-4-(3-methoxyphenyl)pyridin-2-yl]azulene-1-carboxylate Traditional Name: 3-[5-cyano-6-methoxy-4-(3-methoxyphenyl)-2-pyridyl]azulene-1-carboxylic acid methyl ester Formula: C26H20N2O4 MolecularWeight: 424.448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC(=NC(=C2C#N)OC)C3=CC(=C4C3=CC=CC=C4)C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC(=NC(=C2C#N)OC)C3=CC(=C4C3=CC=CC=C4)C(=O)OC

InChI

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