[1-[(3-cyano-1-ethyl-pyrrolidin-3-yl)amino]-3-(1-methylcyclohexyl)-1-oxidanylidene-propan-2-yl] morpholine-4-carboxylate

Systemtic Name: [1-[(3-cyano-1-ethyl-pyrrolidin-3-yl)amino]-3-(1-methylcyclohexyl)-1-oxidanylidene-propan-2-yl] morpholine-4-carboxylate Openeye Name: [2-[(3-cyano-1-ethyl-pyrrolidin-3-yl)amino]-1-[(1-methylcyclohexyl)methyl]-2-oxo-ethyl] morpholine-4-carboxylate CAS Name: 4-morpholinecarboxylic acid [1-[(3-cyano-1-ethyl-3-pyrrolidinyl)amino]-3-(1-methylcyclohexyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3-cyano-1-ethylpyrrolidin-3-yl)amino]-3-(1-methylcyclohexyl)-1-oxopropan-2-yl] morpholine-4-carboxylate Traditional Name: morpholine-4-carboxylic acid [2-[(3-cyano-1-ethyl-pyrrolidin-3-yl)amino]-2-keto-1-[(1-methylcyclohexyl)methyl]ethyl] ester Formula: C22H36N4O4 MolecularWeight: 420.54564

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(C1)(C#N)NC(=O)C(CC2(CCCCC2)C)OC(=O)N3CCOCC3

Isomeric SMILES

CCN1CCC(C1)(C#N)NC(=O)C(CC2(CCCCC2)C)OC(=O)N3CCOCC3

InChI

InChI=1S/C22H36N4O4/c1-3-25-10-9-22(16-23,17-25)24-19(27)18(15-21(2)7-5-4-6-8-21)30-20(28)26-11-13-29-14-12-26/h18H,3-15,17H2,1-2H3,(H,24,27)