sodium 4-[(2-propan-2-ylphenyl)amino]butanoate

Systemtic Name: sodium 4-[(2-propan-2-ylphenyl)amino]butanoate Openeye Name: sodium 4-(2-isopropylanilino)butanoate CAS Name: sodium 4-(2-propan-2-ylanilino)butanoate IUPAC Name: sodium 4-(2-propan-2-ylanilino)butanoate Traditional Name: sodium 4-(2-isopropylanilino)butyrate Formula: C13H18NNaO2 MolecularWeight: 243.27729

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NCCCC(=O)[O-].[Na+]

Isomeric SMILES

CC(C)C1=CC=CC=C1NCCCC(=O)[O-].[Na+]

InChI

InChI=1S/C13H19NO2.Na/c1-10(2)11-6-3-4-7-12(11)14-9-5-8-13(15)16;/h3-4,6-7,10,14H,5,8-9H2,1-2H3,(H,15,16);/q;+1/p-1