ethyl 2-(3,4-dimethoxyphenyl)-7-methyl-9-oxidanyl-5-oxidanylidene-6,9-dihydropyrido[3,2-c]azepine-8-carboxylate

Systemtic Name: ethyl 2-(3,4-dimethoxyphenyl)-7-methyl-9-oxidanyl-5-oxidanylidene-6,9-dihydropyrido[3,2-c]azepine-8-carboxylate Openeye Name: ethyl 2-(3,4-dimethoxyphenyl)-9-hydroxy-7-methyl-5-oxo-6,9-dihydropyrido[3,2-c]azepine-8-carboxylate CAS Name: 2-(3,4-dimethoxyphenyl)-9-hydroxy-7-methyl-5-oxo-6,9-dihydropyrido[3,2-c]azepine-8-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(3,4-dimethoxyphenyl)-9-hydroxy-7-methyl-5-oxo-6,9-dihydropyrido[3,2-c]azepine-8-carboxylate Traditional Name: 2-(3,4-dimethoxyphenyl)-9-hydroxy-5-keto-7-methyl-6,9-dihydropyrid[3,2-c]azepine-8-carboxylic acid ethyl ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)C2=C(C1O)N=C(C=C2)C3=CC(=C(C=C3)OC)OC)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)C2=C(C1O)N=C(C=C2)C3=CC(=C(C=C3)OC)OC)C

InChI

InChI=1S/C21H22N2O6/c1-5-29-21(26)17-11(2)22-20(25)13-7-8-14(23-18(13)19(17)24)12-6-9-15(27-3)16(10-12)28-4/h6-10,19,24H,5H2,1-4H3,(H,22,25)