4-azanyl-2-(2-methylphenyl)carbonyl-3-oxidanyl-butanoic acid

Systemtic Name: 4-azanyl-2-(2-methylphenyl)carbonyl-3-oxidanyl-butanoic acid Openeye Name: 4-amino-3-hydroxy-2-(2-methylbenzoyl)butanoic acid CAS Name: 4-amino-3-hydroxy-2-[(2-methylphenyl)-oxomethyl]butanoic acid IUPAC Name: 4-amino-3-hydroxy-2-(2-methylbenzoyl)butanoic acid Traditional Name: 4-amino-3-hydroxy-2-o-toluoyl-butyric acid Formula: C12H15NO4 MolecularWeight: 237.2518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)C(C(CN)O)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(=O)C(C(CN)O)C(=O)O

InChI

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