[(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] (2R)-2-phenoxybutanoate

Systemtic Name: [(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] (2R)-2-phenoxybutanoate Openeye Name: [(1R)-2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] (2R)-2-phenoxybutanoate CAS Name: (2R)-2-phenoxybutanoic acid [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] (2R)-2-phenoxybutanoate Traditional Name: (2R)-2-phenoxybutyric acid [(1R)-2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC(C)C(=O)NC1=CC=CC(=C1)C#N)OC2=CC=CC=C2

Isomeric SMILES

CC[C@H](C(=O)O[C@H](C)C(=O)NC1=CC=CC(=C1)C#N)OC2=CC=CC=C2

InChI

InChI=1S/C20H20N2O4/c1-3-18(26-17-10-5-4-6-11-17)20(24)25-14(2)19(23)22-16-9-7-8-15(12-16)13-21/h4-12,14,18H,3H2,1-2H3,(H,22,23)/t14-,18-/m1/s1