2-azanyl-2-(3-methylphenyl)carbonyl-pentanoic acid

Systemtic Name: 2-azanyl-2-(3-methylphenyl)carbonyl-pentanoic acid Openeye Name: 2-amino-2-(3-methylbenzoyl)pentanoic acid CAS Name: 2-amino-2-[(3-methylphenyl)-oxomethyl]pentanoic acid IUPAC Name: 2-amino-2-(3-methylbenzoyl)pentanoic acid Traditional Name: 2-amino-2-m-toluoyl-valeric acid Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO3/c1-3-7-13(14,12(16)17)11(15)10-6-4-5-9(2)8-10/h4-6,8H,3,7,14H2,1-2H3,(H,16,17)