[1-[(3-cyano-1-ethyl-pyrrolidin-3-yl)amino]-4,4,5-trimethyl-1-oxidanylidene-hexan-2-yl] morpholine-4-carboxylate

Systemtic Name: [1-[(3-cyano-1-ethyl-pyrrolidin-3-yl)amino]-4,4,5-trimethyl-1-oxidanylidene-hexan-2-yl] morpholine-4-carboxylate Openeye Name: [1-[(3-cyano-1-ethyl-pyrrolidin-3-yl)carbamoyl]-3,3,4-trimethyl-pentyl] morpholine-4-carboxylate CAS Name: 4-morpholinecarboxylic acid [1-[(3-cyano-1-ethyl-3-pyrrolidinyl)amino]-4,4,5-trimethyl-1-oxohexan-2-yl] ester IUPAC Name: [1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-4,4,5-trimethyl-1-oxohexan-2-yl] morpholine-4-carboxylate Traditional Name: morpholine-4-carboxylic acid [1-[(3-cyano-1-ethyl-pyrrolidin-3-yl)carbamoyl]-3,3,4-trimethyl-pentyl] ester Formula: C21H36N4O4 MolecularWeight: 408.53494

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(C1)(C#N)NC(=O)C(CC(C)(C)C(C)C)OC(=O)N2CCOCC2

Isomeric SMILES

CCN1CCC(C1)(C#N)NC(=O)C(CC(C)(C)C(C)C)OC(=O)N2CCOCC2

InChI

InChI=1S/C21H36N4O4/c1-6-24-8-7-21(14-22,15-24)23-18(26)17(13-20(4,5)16(2)3)29-19(27)25-9-11-28-12-10-25/h16-17H,6-13,15H2,1-5H3,(H,23,26)