(phenylmethyl) 1-(1-methoxy-1-oxidanylidene-propan-2-yl)azepane-3-carboxylate

Systemtic Name: (phenylmethyl) 1-(1-methoxy-1-oxidanylidene-propan-2-yl)azepane-3-carboxylate Openeye Name: benzyl 1-(2-methoxy-1-methyl-2-oxo-ethyl)azepane-3-carboxylate CAS Name: 1-(1-methoxy-1-oxopropan-2-yl)-3-azepanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-(1-methoxy-1-oxopropan-2-yl)azepane-3-carboxylate Traditional Name: 1-(2-keto-2-methoxy-1-methyl-ethyl)azepane-3-carboxylic acid benzyl ester Formula: C18H25NO4 MolecularWeight: 319.3954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)N1CCCCC(C1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)OC)N1CCCCC(C1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H25NO4/c1-14(17(20)22-2)19-11-7-6-10-16(12-19)18(21)23-13-15-8-4-3-5-9-15/h3-5,8-9,14,16H,6-7,10-13H2,1-2H3