2-methyl-3-[(4-methylphenyl)methylamino]-3-oxidanylidene-propanoic acid

Systemtic Name: 2-methyl-3-[(4-methylphenyl)methylamino]-3-oxidanylidene-propanoic acid Openeye Name: 2-methyl-3-oxo-3-(p-tolylmethylamino)propanoic acid CAS Name: 2-methyl-3-[(4-methylphenyl)methylamino]-3-oxopropanoic acid IUPAC Name: 2-methyl-3-[(4-methylphenyl)methylamino]-3-oxopropanoic acid Traditional Name: 3-keto-2-methyl-3-[(4-methylbenzyl)amino]propionic acid Formula: C12H15NO3 MolecularWeight: 221.2524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO3/c1-8-3-5-10(6-4-8)7-13-11(14)9(2)12(15)16/h3-6,9H,7H2,1-2H3,(H,13,14)(H,15,16)