O4-[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] O1-ethyl (E)-but-2-enedioate

Systemtic Name: O4-[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] O1-ethyl (E)-but-2-enedioate Openeye Name: O4-[(1R)-2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] O1-ethyl (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O4-[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester O1-ethyl ester IUPAC Name: 4-O-[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 1-O-ethyl (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O4-[(1R)-2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester O1-ethyl ester Formula: C16H22N2O5 MolecularWeight: 322.35628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)OC(C)C(=O)NC1(CCCCC1)C#N

Isomeric SMILES

CCOC(=O)/C=C/C(=O)O[C@H](C)C(=O)NC1(CCCCC1)C#N

InChI

InChI=1S/C16H22N2O5/c1-3-22-13(19)7-8-14(20)23-12(2)15(21)18-16(11-17)9-5-4-6-10-16/h7-8,12H,3-6,9-10H2,1-2H3,(H,18,21)/b8-7+/t12-/m1/s1