ethyl (2R,6R)-6-phenyl-1-(phenylmethyl)-2,3,6,7-tetrahydroazepine-2-carboxylate

Systemtic Name: ethyl (2R,6R)-6-phenyl-1-(phenylmethyl)-2,3,6,7-tetrahydroazepine-2-carboxylate Openeye Name: ethyl (2R,6R)-1-benzyl-6-phenyl-2,3,6,7-tetrahydroazepine-2-carboxylate CAS Name: (2R,6R)-6-phenyl-1-(phenylmethyl)-2,3,6,7-tetrahydroazepine-2-carboxylic acid ethyl ester IUPAC Name: ethyl (2R,6R)-1-benzyl-6-phenyl-2,3,6,7-tetrahydroazepine-2-carboxylate Traditional Name: (2R,6R)-1-benzyl-6-phenyl-2,3,6,7-tetrahydroazepine-2-carboxylic acid ethyl ester Formula: C22H25NO2 MolecularWeight: 335.4394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC=CC(CN1CC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@H]1CC=C[C@@H](CN1CC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H25NO2/c1-2-25-22(24)21-15-9-14-20(19-12-7-4-8-13-19)17-23(21)16-18-10-5-3-6-11-18/h3-14,20-21H,2,15-17H2,1H3/t20-,21+/m0/s1