(phenylmethyl) (2R)-2-phenyl-2,3,4,7-tetrahydroazepine-1-carboxylate

Systemtic Name: (phenylmethyl) (2R)-2-phenyl-2,3,4,7-tetrahydroazepine-1-carboxylate Openeye Name: benzyl (2R)-2-phenyl-2,3,4,7-tetrahydroazepine-1-carboxylate CAS Name: (2R)-2-phenyl-2,3,4,7-tetrahydroazepine-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2R)-2-phenyl-2,3,4,7-tetrahydroazepine-1-carboxylate Traditional Name: (2R)-2-phenyl-2,3,4,7-tetrahydroazepine-1-carboxylic acid benzyl ester Formula: C20H21NO2 MolecularWeight: 307.38624

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(CC=C1)C(=O)OCC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](N(CC=C1)C(=O)OCC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H21NO2/c22-20(23-16-17-10-4-1-5-11-17)21-15-9-3-8-14-19(21)18-12-6-2-7-13-18/h1-7,9-13,19H,8,14-16H2/t19-/m1/s1