[5-(2-cyanopyrrolidin-1-yl)carbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl] pyridine-4-carboxylate

Systemtic Name: [5-(2-cyanopyrrolidin-1-yl)carbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl] pyridine-4-carboxylate Openeye Name: [1-tert-butoxycarbonyl-5-(2-cyanopyrrolidine-1-carbonyl)pyrrolidin-3-yl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [5-[(2-cyano-1-pyrrolidinyl)-oxomethyl]-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-pyrrolidinyl] ester IUPAC Name: [5-(2-cyanopyrrolidine-1-carbonyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [1-tert-butoxycarbonyl-5-(2-cyanopyrrolidine-1-carbonyl)pyrrolidin-3-yl] ester Formula: C21H26N4O5 MolecularWeight: 414.45494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCCC2C#N)OC(=O)C3=CC=NC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCCC2C#N)OC(=O)C3=CC=NC=C3

InChI

InChI=1S/C21H26N4O5/c1-21(2,3)30-20(28)25-13-16(29-19(27)14-6-8-23-9-7-14)11-17(25)18(26)24-10-4-5-15(24)12-22/h6-9,15-17H,4-5,10-11,13H2,1-3H3