(phenylmethyl) (3R,4S)-3,4-dimethyl-2,3,4,5-tetrahydroazepine-1-carboxylate

Systemtic Name: (phenylmethyl) (3R,4S)-3,4-dimethyl-2,3,4,5-tetrahydroazepine-1-carboxylate Openeye Name: benzyl (3R,4S)-3,4-dimethyl-2,3,4,5-tetrahydroazepine-1-carboxylate CAS Name: (3R,4S)-3,4-dimethyl-2,3,4,5-tetrahydroazepine-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3R,4S)-3,4-dimethyl-2,3,4,5-tetrahydroazepine-1-carboxylate Traditional Name: (3R,4S)-3,4-dimethyl-2,3,4,5-tetrahydroazepine-1-carboxylic acid benzyl ester Formula: C16H21NO2 MolecularWeight: 259.34344

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC=CN(CC1C)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C[C@H]1CC=CN(C[C@@H]1C)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H21NO2/c1-13-7-6-10-17(11-14(13)2)16(18)19-12-15-8-4-3-5-9-15/h3-6,8-10,13-14H,7,11-12H2,1-2H3/t13-,14-/m0/s1