O6-ethyl O1-(phenylmethyl) 2-acetamido-2-(hydroxymethyl)-3-oxidanylidene-hexanedioate

Systemtic Name: O6-ethyl O1-(phenylmethyl) 2-acetamido-2-(hydroxymethyl)-3-oxidanylidene-hexanedioate Openeye Name: O1-benzyl O6-ethyl 2-acetamido-2-(hydroxymethyl)-3-oxo-hexanedioate CAS Name: 2-acetamido-2-(hydroxymethyl)-3-oxohexanedioic acid O6-ethyl ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 6-O-ethyl 2-acetamido-2-(hydroxymethyl)-3-oxohexanedioate Traditional Name: 2-acetamido-3-keto-2-methylol-adipic acid O1-benzyl ester O6-ethyl ester Formula: C18H23NO7 MolecularWeight: 365.37772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)C(CO)(C(=O)OCC1=CC=CC=C1)NC(=O)C

Isomeric SMILES

CCOC(=O)CCC(=O)C(CO)(C(=O)OCC1=CC=CC=C1)NC(=O)C

InChI

InChI=1S/C18H23NO7/c1-3-25-16(23)10-9-15(22)18(12-20,19-13(2)21)17(24)26-11-14-7-5-4-6-8-14/h4-8,20H,3,9-12H2,1-2H3,(H,19,21)