methanesulfonate; pyridin-2-ylmethyl 2-[4-(2-methylpropyl)phenyl]propanoate

Systemtic Name: methanesulfonate; pyridin-2-ylmethyl 2-[4-(2-methylpropyl)phenyl]propanoate Openeye Name: methanesulfonate; 2-pyridylmethyl 2-(4-isobutylphenyl)propanoate CAS Name: methanesulfonate; 2-[4-(2-methylpropyl)phenyl]propanoic acid 2-pyridinylmethyl ester IUPAC Name: methanesulfonate; pyridin-2-ylmethyl 2-[4-(2-methylpropyl)phenyl]propanoate Traditional Name: 2-(4-isobutylphenyl)propionic acid 2-pyridylmethyl ester mesylate Formula: C20H26NO5S- MolecularWeight: 392.48914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C)C(=O)OCC2=CC=CC=N2.CS(=O)(=O)[O-]

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C)C(=O)OCC2=CC=CC=N2.CS(=O)(=O)[O-]

InChI

InChI=1S/C19H23NO2.CH4O3S/c1-14(2)12-16-7-9-17(10-8-16)15(3)19(21)22-13-18-6-4-5-11-20-18;1-5(2,3)4/h4-11,14-15H,12-13H2,1-3H3;1H3,(H,2,3,4)/p-1