[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] (2R)-2-phenoxybutanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] (2R)-2-phenoxybutanoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] (2R)-2-phenoxybutanoate CAS Name: (2R)-2-phenoxybutanoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] (2R)-2-phenoxybutanoate Traditional Name: (2R)-2-phenoxybutyric acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C19H24N2O4 MolecularWeight: 344.40486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O4/c1-2-16(25-15-9-5-3-6-10-15)18(23)24-13-17(22)21-19(14-20)11-7-4-8-12-19/h3,5-6,9-10,16H,2,4,7-8,11-13H2,1H3,(H,21,22)/t16-/m1/s1