methyl (2S,4S)-4-acetyloxy-1-methyl-2-(phenylmethoxymethyl)azepane-4-carboxylate

Systemtic Name: methyl (2S,4S)-4-acetyloxy-1-methyl-2-(phenylmethoxymethyl)azepane-4-carboxylate Openeye Name: methyl (2S,4S)-4-acetoxy-2-(benzyloxymethyl)-1-methyl-azepane-4-carboxylate CAS Name: (2S,4S)-4-acetyloxy-1-methyl-2-(phenylmethoxymethyl)-4-azepanecarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-acetyloxy-1-methyl-2-(phenylmethoxymethyl)azepane-4-carboxylate Traditional Name: (2S,4S)-4-acetoxy-2-(benzoxymethyl)-1-methyl-azepane-4-carboxylic acid methyl ester Formula: C19H27NO5 MolecularWeight: 349.42138

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1(CCCN(C(C1)COCC2=CC=CC=C2)C)C(=O)OC

Isomeric SMILES

CC(=O)O[C@]1(CCCN([C@@H](C1)COCC2=CC=CC=C2)C)C(=O)OC

InChI

InChI=1S/C19H27NO5/c1-15(21)25-19(18(22)23-3)10-7-11-20(2)17(12-19)14-24-13-16-8-5-4-6-9-16/h4-6,8-9,17H,7,10-14H2,1-3H3/t17-,19-/m0/s1