(phenylmethyl) 1-(2-methoxy-2-oxidanylidene-ethyl)azepane-3-carboxylate

Systemtic Name: (phenylmethyl) 1-(2-methoxy-2-oxidanylidene-ethyl)azepane-3-carboxylate Openeye Name: benzyl 1-(2-methoxy-2-oxo-ethyl)azepane-3-carboxylate CAS Name: 1-(2-methoxy-2-oxoethyl)-3-azepanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-(2-methoxy-2-oxoethyl)azepane-3-carboxylate Traditional Name: 1-(2-keto-2-methoxy-ethyl)azepane-3-carboxylic acid benzyl ester Formula: C17H23NO4 MolecularWeight: 305.36882

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1CCCCC(C1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)CN1CCCCC(C1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C17H23NO4/c1-21-16(19)12-18-10-6-5-9-15(11-18)17(20)22-13-14-7-3-2-4-8-14/h2-4,7-8,15H,5-6,9-13H2,1H3