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

Systemtic Name: 4-azanyl-2-(4-methylphenyl)carbonyl-butanoic acid Openeye Name: 4-amino-2-(4-methylbenzoyl)butanoic acid CAS Name: 4-amino-2-[(4-methylphenyl)-oxomethyl]butanoic acid IUPAC Name: 4-amino-2-(4-methylbenzoyl)butanoic acid Traditional Name: 4-amino-2-p-toluoyl-butyric acid Formula: C12H15NO3 MolecularWeight: 221.2524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(CCN)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C(CCN)C(=O)O

InChI

InChI=1S/C12H15NO3/c1-8-2-4-9(5-3-8)11(14)10(6-7-13)12(15)16/h2-5,10H,6-7,13H2,1H3,(H,15,16)