2-azanyl-5-butanoyl-4-methyl-benzoic acid

Systemtic Name: 2-azanyl-5-butanoyl-4-methyl-benzoic acid Openeye Name: 2-amino-5-butanoyl-4-methyl-benzoic acid CAS Name: 2-amino-4-methyl-5-(1-oxobutyl)benzoic acid IUPAC Name: 2-amino-5-butanoyl-4-methylbenzoic acid Traditional Name: 2-amino-5-butyryl-4-methyl-benzoic acid Formula: C12H15NO3 MolecularWeight: 221.2524

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC(=C(C=C1C)N)C(=O)O

Isomeric SMILES

CCCC(=O)C1=CC(=C(C=C1C)N)C(=O)O

InChI

InChI=1S/C12H15NO3/c1-3-4-11(14)8-6-9(12(15)16)10(13)5-7(8)2/h5-6H,3-4,13H2,1-2H3,(H,15,16)