methyl 1,2-dimethyl-4-phenyl-azepane-4-carboxylate

Systemtic Name: methyl 1,2-dimethyl-4-phenyl-azepane-4-carboxylate Openeye Name: methyl 1,2-dimethyl-4-phenyl-azepane-4-carboxylate CAS Name: 1,2-dimethyl-4-phenyl-4-azepanecarboxylic acid methyl ester IUPAC Name: methyl 1,2-dimethyl-4-phenylazepane-4-carboxylate Traditional Name: 1,2-dimethyl-4-phenyl-azepane-4-carboxylic acid methyl ester Formula: C16H23NO2 MolecularWeight: 261.35932

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CCCN1C)(C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC1CC(CCCN1C)(C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C16H23NO2/c1-13-12-16(15(18)19-3,10-7-11-17(13)2)14-8-5-4-6-9-14/h4-6,8-9,13H,7,10-12H2,1-3H3