methyl 1-[(4-methoxyphenyl)methyl]-7-oxidanylidene-3,4-dihydro-2H-azepine-2-carboxylate

Systemtic Name: methyl 1-[(4-methoxyphenyl)methyl]-7-oxidanylidene-3,4-dihydro-2H-azepine-2-carboxylate Openeye Name: methyl 1-[(4-methoxyphenyl)methyl]-7-oxo-3,4-dihydro-2H-azepine-2-carboxylate CAS Name: 1-[(4-methoxyphenyl)methyl]-7-oxo-3,4-dihydro-2H-azepine-2-carboxylic acid methyl ester IUPAC Name: methyl 1-[(4-methoxyphenyl)methyl]-7-oxo-3,4-dihydro-2H-azepine-2-carboxylate Traditional Name: 7-keto-1-p-anisyl-3,4-dihydro-2H-azepine-2-carboxylic acid methyl ester Formula: C16H19NO4 MolecularWeight: 289.32636

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(CCC=CC2=O)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(CCC=CC2=O)C(=O)OC

InChI

InChI=1S/C16H19NO4/c1-20-13-9-7-12(8-10-13)11-17-14(16(19)21-2)5-3-4-6-15(17)18/h4,6-10,14H,3,5,11H2,1-2H3