O5-ethyl O1-(phenylmethyl) (E)-3-(dimethoxymethylamino)-2-ethanoyl-4-methyl-pent-2-enedioate

Systemtic Name: O5-ethyl O1-(phenylmethyl) (E)-3-(dimethoxymethylamino)-2-ethanoyl-4-methyl-pent-2-enedioate Openeye Name: O1-benzyl O5-ethyl (E)-2-acetyl-3-(dimethoxymethylamino)-4-methyl-pent-2-enedioate CAS Name: (E)-2-acetyl-3-(dimethoxymethylamino)-4-methyl-2-pentenedioic acid O5-ethyl ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 5-O-ethyl (E)-2-acetyl-3-(dimethoxymethylamino)-4-methylpent-2-enedioate Traditional Name: (E)-2-acetyl-3-(dimethoxymethylamino)-4-methyl-pent-2-enedioic acid O1-benzyl ester O5-ethyl ester Formula: C20H27NO7 MolecularWeight: 393.43088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)C(=C(C(=O)C)C(=O)OCC1=CC=CC=C1)NC(OC)OC

Isomeric SMILES

CCOC(=O)C(C)/C(=C(/C(=O)C)\C(=O)OCC1=CC=CC=C1)/NC(OC)OC

InChI

InChI=1S/C20H27NO7/c1-6-27-18(23)13(2)17(21-20(25-4)26-5)16(14(3)22)19(24)28-12-15-10-8-7-9-11-15/h7-11,13,20-21H,6,12H2,1-5H3/b17-16+