2-[[2-tert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyl]phenoxy]methyl]-5-(2-cyanopyrrolidin-1-yl)carbonyl-pyrrolidine-1-carboxylic acid

Systemtic Name: 2-[[2-tert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyl]phenoxy]methyl]-5-(2-cyanopyrrolidin-1-yl)carbonyl-pyrrolidine-1-carboxylic acid Openeye Name: 2-[(4-tert-butoxycarbonyl-2-tert-butyl-phenoxy)methyl]-5-(2-cyanopyrrolidine-1-carbonyl)pyrrolidine-1-carboxylic acid CAS Name: 2-[[2-tert-butyl-4-[(2-methylpropan-2-yl)oxy-oxomethyl]phenoxy]methyl]-5-[(2-cyano-1-pyrrolidinyl)-oxomethyl]-1-pyrrolidinecarboxylic acid IUPAC Name: 2-[[2-tert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyl]phenoxy]methyl]-5-(2-cyanopyrrolidine-1-carbonyl)pyrrolidine-1-carboxylic acid Traditional Name: 2-[(4-tert-butoxycarbonyl-2-tert-butyl-phenoxy)methyl]-5-(2-cyanopyrrolidine-1-carbonyl)pyrrolidine-1-carboxylic acid Formula: C27H37N3O6 MolecularWeight: 499.59918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)C(=O)OC(C)(C)C)OCC2CCC(N2C(=O)O)C(=O)N3CCCC3C#N

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)C(=O)OC(C)(C)C)OCC2CCC(N2C(=O)O)C(=O)N3CCCC3C#N

InChI

InChI=1S/C27H37N3O6/c1-26(2,3)20-14-17(24(32)36-27(4,5)6)9-12-22(20)35-16-19-10-11-21(30(19)25(33)34)23(31)29-13-7-8-18(29)15-28/h9,12,14,18-19,21H,7-8,10-11,13,16H2,1-6H3,(H,33,34)