3-tert-butyl-4-[[5-(2-cyanopyrrolidin-1-yl)carbonylpyrrolidin-2-yl]methoxy]benzoic acid

Systemtic Name: 3-tert-butyl-4-[[5-(2-cyanopyrrolidin-1-yl)carbonylpyrrolidin-2-yl]methoxy]benzoic acid Openeye Name: 3-tert-butyl-4-[[5-(2-cyanopyrrolidine-1-carbonyl)pyrrolidin-2-yl]methoxy]benzoic acid CAS Name: 3-tert-butyl-4-[[5-[(2-cyano-1-pyrrolidinyl)-oxomethyl]-2-pyrrolidinyl]methoxy]benzoic acid IUPAC Name: 3-tert-butyl-4-[[5-(2-cyanopyrrolidine-1-carbonyl)pyrrolidin-2-yl]methoxy]benzoic acid Traditional Name: 3-tert-butyl-4-[[5-(2-cyanopyrrolidine-1-carbonyl)pyrrolidin-2-yl]methoxy]benzoic acid Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O4/c1-22(2,3)17-11-14(21(27)28)6-9-19(17)29-13-15-7-8-18(24-15)20(26)25-10-4-5-16(25)12-23/h6,9,11,15-16,18,24H,4-5,7-8,10,13H2,1-3H3,(H,27,28)