dimethyl 2-[[4-(2-pyridin-2-ylethoxy)phenyl]methyl]propanedioate; methanesulfonic acid

Systemtic Name: dimethyl 2-[[4-(2-pyridin-2-ylethoxy)phenyl]methyl]propanedioate; methanesulfonic acid Openeye Name: dimethyl 2-[[4-[2-(2-pyridyl)ethoxy]phenyl]methyl]propanedioate; methanesulfonic acid CAS Name: methanesulfonic acid; 2-[[4-[2-(2-pyridinyl)ethoxy]phenyl]methyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[4-(2-pyridin-2-ylethoxy)phenyl]methyl]propanedioate; methanesulfonic acid Traditional Name: mesylic acid; 2-[4-[2-(2-pyridyl)ethoxy]benzyl]malonic acid dimethyl ester Formula: C20H25NO8S MolecularWeight: 439.4794

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)OCCC2=CC=CC=N2)C(=O)OC.CS(=O)(=O)O

Isomeric SMILES

COC(=O)C(CC1=CC=C(C=C1)OCCC2=CC=CC=N2)C(=O)OC.CS(=O)(=O)O

InChI

InChI=1S/C19H21NO5.CH4O3S/c1-23-18(21)17(19(22)24-2)13-14-6-8-16(9-7-14)25-12-10-15-5-3-4-11-20-15;1-5(2,3)4/h3-9,11,17H,10,12-13H2,1-2H3;1H3,(H,2,3,4)