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

Systemtic Name: methyl 3-[5-cyano-4-(2,4-dimethoxyphenyl)-6-methoxy-pyridin-2-yl]azulene-1-carboxylate Openeye Name: methyl 3-[5-cyano-4-(2,4-dimethoxyphenyl)-6-methoxy-2-pyridyl]azulene-1-carboxylate CAS Name: 3-[5-cyano-4-(2,4-dimethoxyphenyl)-6-methoxy-2-pyridinyl]-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-[5-cyano-4-(2,4-dimethoxyphenyl)-6-methoxypyridin-2-yl]azulene-1-carboxylate Traditional Name: 3-[5-cyano-4-(2,4-dimethoxyphenyl)-6-methoxy-2-pyridyl]azulene-1-carboxylic acid methyl ester Formula: C27H22N2O5 MolecularWeight: 454.47398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H22N2O5/c1-31-16-10-11-19(25(12-16)32-2)20-14-24(29-26(33-3)23(20)15-28)21-13-22(27(30)34-4)18-9-7-5-6-8-17(18)21/h5-14H,1-4H3