[(2R)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-ethoxy-4-propoxy-benzoate

Systemtic Name: [(2R)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-ethoxy-4-propoxy-benzoate Openeye Name: [(1R)-2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] 3-ethoxy-4-propoxy-benzoate CAS Name: 3-ethoxy-4-propoxybenzoic acid [(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 3-ethoxy-4-propoxybenzoate Traditional Name: 3-ethoxy-4-propoxy-benzoic acid [(1R)-2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=CC=CC=C2C#N)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)O[C@H](C)C(=O)NC2=CC=CC=C2C#N)OCC

InChI

InChI=1S/C22H24N2O5/c1-4-12-28-19-11-10-16(13-20(19)27-5-2)22(26)29-15(3)21(25)24-18-9-7-6-8-17(18)14-23/h6-11,13,15H,4-5,12H2,1-3H3,(H,24,25)/t15-/m1/s1