[(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-phenoxybutanoate

Systemtic Name: [(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-phenoxybutanoate Openeye Name: [(1R)-2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl] 4-phenoxybutanoate CAS Name: 4-phenoxybutanoic acid [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 4-phenoxybutanoate Traditional Name: 4-phenoxybutyric acid [(1R)-2-(4-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C#N)OC(=O)CCCOC2=CC=CC=C2

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C#N)OC(=O)CCCOC2=CC=CC=C2

InChI

InChI=1S/C20H20N2O4/c1-15(20(24)22-17-11-9-16(14-21)10-12-17)26-19(23)8-5-13-25-18-6-3-2-4-7-18/h2-4,6-7,9-12,15H,5,8,13H2,1H3,(H,22,24)/t15-/m1/s1