2-[4-chloranyl-3-[[5-(2-cyanopyrrolidin-1-yl)carbonylpyrrolidin-2-yl]methoxy]phenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[4-chloranyl-3-[[5-(2-cyanopyrrolidin-1-yl)carbonylpyrrolidin-2-yl]methoxy]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-chloro-3-[[5-(2-cyanopyrrolidine-1-carbonyl)pyrrolidin-2-yl]methoxy]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-chloro-3-[[5-[(2-cyano-1-pyrrolidinyl)-oxomethyl]-2-pyrrolidinyl]methoxy]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-chloro-3-[[5-(2-cyanopyrrolidine-1-carbonyl)pyrrolidin-2-yl]methoxy]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-chloro-3-[[5-(2-cyanopyrrolidine-1-carbonyl)pyrrolidin-2-yl]methoxy]phenoxy]-2-methyl-propionic acid Formula: C21H26ClN3O5 MolecularWeight: 435.90124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)OC1=CC(=C(C=C1)Cl)OCC2CCC(N2)C(=O)N3CCCC3C#N

Isomeric SMILES

CC(C)(C(=O)O)OC1=CC(=C(C=C1)Cl)OCC2CCC(N2)C(=O)N3CCCC3C#N

InChI

InChI=1S/C21H26ClN3O5/c1-21(2,20(27)28)30-15-6-7-16(22)18(10-15)29-12-13-5-8-17(24-13)19(26)25-9-3-4-14(25)11-23/h6-7,10,13-14,17,24H,3-5,8-9,12H2,1-2H3,(H,27,28)