2-[4-ethyl-3-[methyl-[2-(4-methylsulfonylphenyl)ethanoyl]amino]-2-pyrrolidin-1-yl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-ethyl-3-[methyl-[2-(4-methylsulfonylphenyl)ethanoyl]amino]-2-pyrrolidin-1-yl-phenoxy]ethanoic acid Openeye Name: 2-[4-ethyl-3-[methyl-[2-(4-methylsulfonylphenyl)acetyl]amino]-2-pyrrolidin-1-yl-phenoxy]acetic acid CAS Name: 2-[4-ethyl-3-[methyl-[2-(4-methylsulfonylphenyl)-1-oxoethyl]amino]-2-(1-pyrrolidinyl)phenoxy]acetic acid IUPAC Name: 2-[4-ethyl-3-[methyl-[2-(4-methylsulfonylphenyl)acetyl]amino]-2-pyrrolidin-1-ylphenoxy]acetic acid Traditional Name: 2-[4-ethyl-3-[[2-(4-mesylphenyl)acetyl]-methyl-amino]-2-pyrrolidino-phenoxy]acetic acid Formula: C24H30N2O6S MolecularWeight: 474.5698

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)OCC(=O)O)N2CCCC2)N(C)C(=O)CC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCC1=C(C(=C(C=C1)OCC(=O)O)N2CCCC2)N(C)C(=O)CC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C24H30N2O6S/c1-4-18-9-12-20(32-16-22(28)29)24(26-13-5-6-14-26)23(18)25(2)21(27)15-17-7-10-19(11-8-17)33(3,30)31/h7-12H,4-6,13-16H2,1-3H3,(H,28,29)