[(2R)-1-[(3-chloranyl-4-cyano-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(ethoxymethyl)-4-methoxy-benzoate

Systemtic Name: [(2R)-1-[(3-chloranyl-4-cyano-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(ethoxymethyl)-4-methoxy-benzoate Openeye Name: [(1R)-2-(3-chloro-4-cyano-anilino)-1-methyl-2-oxo-ethyl] 3-(ethoxymethyl)-4-methoxy-benzoate CAS Name: 3-(ethoxymethyl)-4-methoxybenzoic acid [(2R)-1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] 3-(ethoxymethyl)-4-methoxybenzoate Traditional Name: 3-(ethoxymethyl)-4-methoxy-benzoic acid [(1R)-2-(3-chloro-4-cyano-anilino)-2-keto-1-methyl-ethyl] ester Formula: C21H21ClN2O5 MolecularWeight: 416.85484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(C=CC(=C1)C(=O)OC(C)C(=O)NC2=CC(=C(C=C2)C#N)Cl)OC

Isomeric SMILES

CCOCC1=C(C=CC(=C1)C(=O)O[C@H](C)C(=O)NC2=CC(=C(C=C2)C#N)Cl)OC

InChI

InChI=1S/C21H21ClN2O5/c1-4-28-12-16-9-14(6-8-19(16)27-3)21(26)29-13(2)20(25)24-17-7-5-15(11-23)18(22)10-17/h5-10,13H,4,12H2,1-3H3,(H,24,25)/t13-/m1/s1