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

Systemtic Name: methyl (2S,4R)-4-cyano-1-methyl-2-(phenylmethoxymethyl)azepane-4-carboxylate Openeye Name: methyl (2S,4R)-2-(benzyloxymethyl)-4-cyano-1-methyl-azepane-4-carboxylate CAS Name: (2S,4R)-4-cyano-1-methyl-2-(phenylmethoxymethyl)-4-azepanecarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-4-cyano-1-methyl-2-(phenylmethoxymethyl)azepane-4-carboxylate Traditional Name: (2S,4R)-2-(benzoxymethyl)-4-cyano-1-methyl-azepane-4-carboxylic acid methyl ester Formula: C18H24N2O3 MolecularWeight: 316.39476

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC(CC1COCC2=CC=CC=C2)(C#N)C(=O)OC

Isomeric SMILES

CN1CCC[C@@](C[C@H]1COCC2=CC=CC=C2)(C#N)C(=O)OC

InChI

InChI=1S/C18H24N2O3/c1-20-10-6-9-18(14-19,17(21)22-2)11-16(20)13-23-12-15-7-4-3-5-8-15/h3-5,7-8,16H,6,9-13H2,1-2H3/t16-,18+/m0/s1