2-[2-(2-methylphenyl)ethanoylamino]-3-oxidanyl-butanoic acid

Systemtic Name: 2-[2-(2-methylphenyl)ethanoylamino]-3-oxidanyl-butanoic acid Openeye Name: 3-hydroxy-2-[[2-(o-tolyl)acetyl]amino]butanoic acid CAS Name: 3-hydroxy-2-[[2-(2-methylphenyl)-1-oxoethyl]amino]butanoic acid IUPAC Name: 3-hydroxy-2-[[2-(2-methylphenyl)acetyl]amino]butanoic acid Traditional Name: 3-hydroxy-2-[[2-(o-tolyl)acetyl]amino]butyric acid Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(=O)NC(C(C)O)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1CC(=O)NC(C(C)O)C(=O)O

InChI

InChI=1S/C13H17NO4/c1-8-5-3-4-6-10(8)7-11(16)14-12(9(2)15)13(17)18/h3-6,9,12,15H,7H2,1-2H3,(H,14,16)(H,17,18)