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

Systemtic Name: 2-[2-(2-methylphenyl)ethanoylamino]-3-oxidanyl-propanoic acid Openeye Name: 3-hydroxy-2-[[2-(o-tolyl)acetyl]amino]propanoic acid CAS Name: 3-hydroxy-2-[[2-(2-methylphenyl)-1-oxoethyl]amino]propanoic acid IUPAC Name: 3-hydroxy-2-[[2-(2-methylphenyl)acetyl]amino]propanoic acid Traditional Name: 3-hydroxy-2-[[2-(o-tolyl)acetyl]amino]propionic acid Formula: C12H15NO4 MolecularWeight: 237.2518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO4/c1-8-4-2-3-5-9(8)6-11(15)13-10(7-14)12(16)17/h2-5,10,14H,6-7H2,1H3,(H,13,15)(H,16,17)