2-(2,2-dimethylpropanoylamino)-2-naphthalen-1-yl-propanoic acid; 4-methylbenzenesulfonate

Systemtic Name: 2-(2,2-dimethylpropanoylamino)-2-naphthalen-1-yl-propanoic acid; 4-methylbenzenesulfonate Openeye Name: 2-(2,2-dimethylpropanoylamino)-2-(1-naphthyl)propanoic acid; 4-methylbenzenesulfonate CAS Name: 2-[(2,2-dimethyl-1-oxopropyl)amino]-2-(1-naphthalenyl)propanoic acid; 4-methylbenzenesulfonate IUPAC Name: 2-(2,2-dimethylpropanoylamino)-2-naphthalen-1-ylpropanoic acid; 4-methylbenzenesulfonate Traditional Name: 2-(1-naphthyl)-2-(pivaloylamino)propionic acid tosylate Formula: C25H28NO6S- MolecularWeight: 470.55792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)(C)C(=O)NC(C)(C1=CC=CC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)(C)C(=O)NC(C)(C1=CC=CC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C18H21NO3.C7H8O3S/c1-17(2,3)15(20)19-18(4,16(21)22)14-11-7-9-12-8-5-6-10-13(12)14;1-6-2-4-7(5-3-6)11(8,9)10/h5-11H,1-4H3,(H,19,20)(H,21,22);2-5H,1H3,(H,8,9,10)/p-1