[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] (2R)-2-(4-cyanophenoxy)propanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] (2R)-2-(4-cyanophenoxy)propanoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] (2R)-2-(4-cyanophenoxy)propanoate CAS Name: (2R)-2-(4-cyanophenoxy)propanoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate Traditional Name: (2R)-2-(4-cyanophenoxy)propionic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C19H21N3O4 MolecularWeight: 355.38774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1(CCCCC1)C#N)OC2=CC=C(C=C2)C#N

Isomeric SMILES

C[C@H](C(=O)OCC(=O)NC1(CCCCC1)C#N)OC2=CC=C(C=C2)C#N

InChI

InChI=1S/C19H21N3O4/c1-14(26-16-7-5-15(11-20)6-8-16)18(24)25-12-17(23)22-19(13-21)9-3-2-4-10-19/h5-8,14H,2-4,9-10,12H2,1H3,(H,22,23)/t14-/m1/s1