2-[2-methyl-4-(methylamino)-4-oxidanylidene-butyl]benzoic acid

Systemtic Name: 2-[2-methyl-4-(methylamino)-4-oxidanylidene-butyl]benzoic acid Openeye Name: 2-[2-methyl-4-(methylamino)-4-oxo-butyl]benzoic acid CAS Name: 2-[2-methyl-4-(methylamino)-4-oxobutyl]benzoic acid IUPAC Name: 2-[2-methyl-4-(methylamino)-4-oxobutyl]benzoic acid Traditional Name: 2-[4-keto-2-methyl-4-(methylamino)butyl]benzoic acid Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1C(=O)O)CC(=O)NC

Isomeric SMILES

CC(CC1=CC=CC=C1C(=O)O)CC(=O)NC

InChI

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