propan-2-yl 4-chloranyl-3-[[4-(hydroxymethyl)-4-methyl-5-oxidanyl-3-oxidanylidene-pentanoyl]amino]benzoate

Systemtic Name: propan-2-yl 4-chloranyl-3-[[4-(hydroxymethyl)-4-methyl-5-oxidanyl-3-oxidanylidene-pentanoyl]amino]benzoate Openeye Name: isopropyl 4-chloro-3-[[5-hydroxy-4-(hydroxymethyl)-4-methyl-3-oxo-pentanoyl]amino]benzoate CAS Name: 4-chloro-3-[[5-hydroxy-4-(hydroxymethyl)-4-methyl-1,3-dioxopentyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-chloro-3-[[5-hydroxy-4-(hydroxymethyl)-4-methyl-3-oxopentanoyl]amino]benzoate Traditional Name: 4-chloro-3-[(5-hydroxy-3-keto-4-methyl-4-methylol-pentanoyl)amino]benzoic acid isopropyl ester Formula: C17H22ClNO6 MolecularWeight: 371.81268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CC(=O)C(C)(CO)CO

Isomeric SMILES

CC(C)OC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CC(=O)C(C)(CO)CO

InChI

InChI=1S/C17H22ClNO6/c1-10(2)25-16(24)11-4-5-12(18)13(6-11)19-15(23)7-14(22)17(3,8-20)9-21/h4-6,10,20-21H,7-9H2,1-3H3,(H,19,23)