(phenylmethyl) (2S)-2-(phenylmethoxymethyl)-2,3,6,7-tetrahydroazepine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-(phenylmethoxymethyl)-2,3,6,7-tetrahydroazepine-1-carboxylate Openeye Name: benzyl (2S)-2-(benzyloxymethyl)-2,3,6,7-tetrahydroazepine-1-carboxylate CAS Name: (2S)-2-(phenylmethoxymethyl)-2,3,6,7-tetrahydroazepine-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-(phenylmethoxymethyl)-2,3,6,7-tetrahydroazepine-1-carboxylate Traditional Name: (2S)-2-(benzoxymethyl)-2,3,6,7-tetrahydroazepine-1-carboxylic acid benzyl ester Formula: C22H25NO3 MolecularWeight: 351.4388

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CC=C1)COCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN([C@@H](CC=C1)COCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H25NO3/c24-22(26-17-20-12-6-2-7-13-20)23-15-9-3-8-14-21(23)18-25-16-19-10-4-1-5-11-19/h1-8,10-13,21H,9,14-18H2/t21-/m0/s1