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

Systemtic Name: 5-azanyl-2-(3-methylphenyl)carbonyl-pentanoic acid Openeye Name: 5-amino-2-(3-methylbenzoyl)pentanoic acid CAS Name: 5-amino-2-[(3-methylphenyl)-oxomethyl]pentanoic acid IUPAC Name: 5-amino-2-(3-methylbenzoyl)pentanoic acid Traditional Name: 5-amino-2-m-toluoyl-valeric acid Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO3/c1-9-4-2-5-10(8-9)12(15)11(13(16)17)6-3-7-14/h2,4-5,8,11H,3,6-7,14H2,1H3,(H,16,17)