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

Systemtic Name: [(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-chloranyl-5-methoxy-4-propan-2-yloxy-benzoate Openeye Name: [(1R)-2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl] 3-chloro-4-isopropoxy-5-methoxy-benzoate CAS Name: 3-chloro-5-methoxy-4-propan-2-yloxybenzoic 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-propan-2-yloxybenzoate Traditional Name: 3-chloro-4-isopropoxy-5-methoxy-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:

CC(C)OC1=C(C=C(C=C1Cl)C(=O)OC(C)C(=O)NC2=CC=C(C=C2)C#N)OC

Isomeric SMILES

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

InChI

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