2-acetamido-2-(acetyloxymethyl)-3-(3,4-diacetyloxyphenyl)propanoic acid

Systemtic Name: 2-acetamido-2-(acetyloxymethyl)-3-(3,4-diacetyloxyphenyl)propanoic acid Openeye Name: 2-acetamido-2-(acetoxymethyl)-3-(3,4-diacetoxyphenyl)propanoic acid CAS Name: 2-acetamido-2-(acetyloxymethyl)-3-(3,4-diacetyloxyphenyl)propanoic acid IUPAC Name: 2-acetamido-2-(acetyloxymethyl)-3-(3,4-diacetyloxyphenyl)propanoic acid Traditional Name: 2-acetamido-2-(acetoxymethyl)-3-(3,4-diacetoxyphenyl)propionic acid Formula: C18H21NO9 MolecularWeight: 395.36064

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC(=C(C=C1)OC(=O)C)OC(=O)C)(COC(=O)C)C(=O)O

Isomeric SMILES

CC(=O)NC(CC1=CC(=C(C=C1)OC(=O)C)OC(=O)C)(COC(=O)C)C(=O)O

InChI

InChI=1S/C18H21NO9/c1-10(20)19-18(17(24)25,9-26-11(2)21)8-14-5-6-15(27-12(3)22)16(7-14)28-13(4)23/h5-7H,8-9H2,1-4H3,(H,19,20)(H,24,25)