3-methyl-4-oxidanylidene-4-[(phenylmethyl)amino]butanoic acid

Systemtic Name: 3-methyl-4-oxidanylidene-4-[(phenylmethyl)amino]butanoic acid Openeye Name: 4-(benzylamino)-3-methyl-4-oxo-butanoic acid CAS Name: 3-methyl-4-oxo-4-[(phenylmethyl)amino]butanoic acid IUPAC Name: 4-(benzylamino)-3-methyl-4-oxobutanoic acid Traditional Name: 4-(benzylamino)-4-keto-3-methyl-butyric acid Formula: C12H15NO3 MolecularWeight: 221.2524

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)C(=O)NCC1=CC=CC=C1

Isomeric SMILES

CC(CC(=O)O)C(=O)NCC1=CC=CC=C1

InChI

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