(phenylmethyl) (2S,7R)-2-(hydroxymethyl)-7-(2-methoxy-2-oxidanylidene-ethyl)azepane-1-carboxylate

Systemtic Name: (phenylmethyl) (2S,7R)-2-(hydroxymethyl)-7-(2-methoxy-2-oxidanylidene-ethyl)azepane-1-carboxylate Openeye Name: benzyl (2S,7R)-2-(hydroxymethyl)-7-(2-methoxy-2-oxo-ethyl)azepane-1-carboxylate CAS Name: (2S,7R)-2-(hydroxymethyl)-7-(2-methoxy-2-oxoethyl)-1-azepanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,7R)-2-(hydroxymethyl)-7-(2-methoxy-2-oxoethyl)azepane-1-carboxylate Traditional Name: (2R,7S)-2-(2-keto-2-methoxy-ethyl)-7-methylol-azepane-1-carboxylic acid benzyl ester Formula: C18H25NO5 MolecularWeight: 335.3948

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CCCCC(N1C(=O)OCC2=CC=CC=C2)CO

Isomeric SMILES

COC(=O)C[C@H]1CCCC[C@H](N1C(=O)OCC2=CC=CC=C2)CO

InChI

InChI=1S/C18H25NO5/c1-23-17(21)11-15-9-5-6-10-16(12-20)19(15)18(22)24-13-14-7-3-2-4-8-14/h2-4,7-8,15-16,20H,5-6,9-13H2,1H3/t15-,16+/m1/s1