4-[methyl-(5-methyl-2-oxidanyl-phenyl)carbonyl-amino]butanoic acid

Systemtic Name: 4-[methyl-(5-methyl-2-oxidanyl-phenyl)carbonyl-amino]butanoic acid Openeye Name: 4-[(2-hydroxy-5-methyl-benzoyl)-methyl-amino]butanoic acid CAS Name: 4-[[(2-hydroxy-5-methylphenyl)-oxomethyl]-methylamino]butanoic acid IUPAC Name: 4-[(2-hydroxy-5-methylbenzoyl)-methylamino]butanoic acid Traditional Name: 4-[(2-hydroxy-5-methyl-benzoyl)-methyl-amino]butyric acid Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(=O)N(C)CCCC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(=O)N(C)CCCC(=O)O

InChI

InChI=1S/C13H17NO4/c1-9-5-6-11(15)10(8-9)13(18)14(2)7-3-4-12(16)17/h5-6,8,15H,3-4,7H2,1-2H3,(H,16,17)