5-(2-acetamido-3-methyl-phenyl)-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-(2-acetamido-3-methyl-phenyl)-5-oxidanylidene-pentanoic acid Openeye Name: 5-(2-acetamido-3-methyl-phenyl)-5-oxo-pentanoic acid CAS Name: 5-(2-acetamido-3-methylphenyl)-5-oxopentanoic acid IUPAC Name: 5-(2-acetamido-3-methylphenyl)-5-oxopentanoic acid Traditional Name: 5-(2-acetamido-3-methyl-phenyl)-5-keto-valeric acid Formula: C14H17NO4 MolecularWeight: 263.28908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1NC(=O)C)C(=O)CCCC(=O)O

Isomeric SMILES

CC1=CC=CC(=C1NC(=O)C)C(=O)CCCC(=O)O

InChI

InChI=1S/C14H17NO4/c1-9-5-3-6-11(14(9)15-10(2)16)12(17)7-4-8-13(18)19/h3,5-6H,4,7-8H2,1-2H3,(H,15,16)(H,18,19)