3-methyl-5-oxidanylidene-5-phenylazanyl-pentanoic acid

Systemtic Name: 3-methyl-5-oxidanylidene-5-phenylazanyl-pentanoic acid Openeye Name: 5-anilino-3-methyl-5-oxo-pentanoic acid CAS Name: 5-anilino-3-methyl-5-oxopentanoic acid IUPAC Name: 5-anilino-3-methyl-5-oxopentanoic acid Traditional Name: 5-anilino-5-keto-3-methyl-valeric acid Formula: C12H15NO3 MolecularWeight: 221.2524

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=CC=CC=C1)CC(=O)O

Isomeric SMILES

CC(CC(=O)NC1=CC=CC=C1)CC(=O)O

InChI

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