[(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-chloranyl-5-methoxy-4-propoxy-benzoate

Systemtic Name: [(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-chloranyl-5-methoxy-4-propoxy-benzoate Openeye Name: [(1R)-2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl] 3-chloro-5-methoxy-4-propoxy-benzoate CAS Name: 3-chloro-5-methoxy-4-propoxybenzoic acid [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 3-chloro-5-methoxy-4-propoxybenzoate Traditional Name: 3-chloro-5-methoxy-4-propoxy-benzoic acid [(1R)-2-(4-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H21ClN2O5 MolecularWeight: 416.85484

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)OC(C)C(=O)NC2=CC=C(C=C2)C#N)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)O[C@H](C)C(=O)NC2=CC=C(C=C2)C#N)OC

InChI

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