methyl 2-oxidanylidene-1-phenyl-azepane-3-carboxylate

Systemtic Name: methyl 2-oxidanylidene-1-phenyl-azepane-3-carboxylate Openeye Name: methyl 2-oxo-1-phenyl-azepane-3-carboxylate CAS Name: 2-oxo-1-phenyl-3-azepanecarboxylic acid methyl ester IUPAC Name: methyl 2-oxo-1-phenylazepane-3-carboxylate Traditional Name: 2-keto-1-phenyl-azepane-3-carboxylic acid methyl ester Formula: C14H17NO3 MolecularWeight: 247.28968

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCCN(C1=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)C1CCCCN(C1=O)C2=CC=CC=C2

InChI

InChI=1S/C14H17NO3/c1-18-14(17)12-9-5-6-10-15(13(12)16)11-7-3-2-4-8-11/h2-4,7-8,12H,5-6,9-10H2,1H3