[2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 4-(morpholin-4-ylmethyl)benzoate

Systemtic Name: [2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 4-(morpholin-4-ylmethyl)benzoate Openeye Name: [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl] 4-(morpholinomethyl)benzoate CAS Name: 4-(4-morpholinylmethyl)benzoic acid [2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-(morpholin-4-ylmethyl)benzoate Traditional Name: 4-(morpholinomethyl)benzoic acid [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl] ester Formula: C20H27N3O4 MolecularWeight: 373.44608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)COC(=O)C1=CC=C(C=C1)CN2CCOCC2

Isomeric SMILES

CC(C)[C@](C)(C#N)NC(=O)COC(=O)C1=CC=C(C=C1)CN2CCOCC2

InChI

InChI=1S/C20H27N3O4/c1-15(2)20(3,14-21)22-18(24)13-27-19(25)17-6-4-16(5-7-17)12-23-8-10-26-11-9-23/h4-7,15H,8-13H2,1-3H3,(H,22,24)/t20-/m0/s1