(phenylmethyl) 4-methyl-5-oxidanylidene-azocane-1-carboxylate

Systemtic Name: (phenylmethyl) 4-methyl-5-oxidanylidene-azocane-1-carboxylate Openeye Name: benzyl 4-methyl-5-oxo-azocane-1-carboxylate CAS Name: 4-methyl-5-oxo-1-azocanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-methyl-5-oxoazocane-1-carboxylate Traditional Name: 5-keto-4-methyl-azocane-1-carboxylic acid benzyl ester Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CCCC1=O)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1CCN(CCCC1=O)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H21NO3/c1-13-9-11-17(10-5-8-15(13)18)16(19)20-12-14-6-3-2-4-7-14/h2-4,6-7,13H,5,8-12H2,1H3