methyl 3,4-dimethyl-1-phenyl-azepane-4-carboxylate

Systemtic Name: methyl 3,4-dimethyl-1-phenyl-azepane-4-carboxylate Openeye Name: methyl 3,4-dimethyl-1-phenyl-azepane-4-carboxylate CAS Name: 3,4-dimethyl-1-phenyl-4-azepanecarboxylic acid methyl ester IUPAC Name: methyl 3,4-dimethyl-1-phenylazepane-4-carboxylate Traditional Name: 3,4-dimethyl-1-phenyl-azepane-4-carboxylic acid methyl ester Formula: C16H23NO2 MolecularWeight: 261.35932

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCCC1(C)C(=O)OC)C2=CC=CC=C2

Isomeric SMILES

CC1CN(CCCC1(C)C(=O)OC)C2=CC=CC=C2

InChI

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