4-oxidanylidene-4-[(2-propan-2-ylphenyl)amino]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[(2-propan-2-ylphenyl)amino]butanoic acid Openeye Name: 4-(2-isopropylanilino)-4-oxo-butanoic acid CAS Name: 4-oxo-4-(2-propan-2-ylanilino)butanoic acid IUPAC Name: 4-oxo-4-(2-propan-2-ylanilino)butanoic acid Traditional Name: 4-(2-isopropylanilino)-4-keto-butyric acid Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)CCC(=O)O

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)CCC(=O)O

InChI

InChI=1S/C13H17NO3/c1-9(2)10-5-3-4-6-11(10)14-12(15)7-8-13(16)17/h3-6,9H,7-8H2,1-2H3,(H,14,15)(H,16,17)