2-[[3-[2,3-bis(oxidanyl)propyl]-4-ethanoyl-phenyl]amino]-4-oxidanylidene-pentanoic acid

Systemtic Name: 2-[[3-[2,3-bis(oxidanyl)propyl]-4-ethanoyl-phenyl]amino]-4-oxidanylidene-pentanoic acid Openeye Name: 2-[4-acetyl-3-(2,3-dihydroxypropyl)anilino]-4-oxo-pentanoic acid CAS Name: 2-[4-acetyl-3-(2,3-dihydroxypropyl)anilino]-4-oxopentanoic acid IUPAC Name: 2-[4-acetyl-3-(2,3-dihydroxypropyl)anilino]-4-oxopentanoic acid Traditional Name: 2-(4-acetyl-3-glyceryl-anilino)-4-keto-valeric acid Formula: C16H21NO6 MolecularWeight: 323.34104

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C(=O)O)NC1=CC(=C(C=C1)C(=O)C)CC(CO)O

Isomeric SMILES

CC(=O)CC(C(=O)O)NC1=CC(=C(C=C1)C(=O)C)CC(CO)O

InChI

InChI=1S/C16H21NO6/c1-9(19)5-15(16(22)23)17-12-3-4-14(10(2)20)11(6-12)7-13(21)8-18/h3-4,6,13,15,17-18,21H,5,7-8H2,1-2H3,(H,22,23)