[(2R)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-chloranyl-2-methyl-phenoxy)butanoate

Systemtic Name: [(2R)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-chloranyl-2-methyl-phenoxy)butanoate Openeye Name: [(1R)-2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] 4-(4-chloro-2-methyl-phenoxy)butanoate CAS Name: 4-(4-chloro-2-methylphenoxy)butanoic acid [(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 4-(4-chloro-2-methylphenoxy)butanoate Traditional Name: 4-(4-chloro-2-methyl-phenoxy)butyric acid [(1R)-2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCCCC(=O)OC(C)C(=O)NC2=CC=CC=C2C#N

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCCCC(=O)O[C@H](C)C(=O)NC2=CC=CC=C2C#N

InChI

InChI=1S/C21H21ClN2O4/c1-14-12-17(22)9-10-19(14)27-11-5-8-20(25)28-15(2)21(26)24-18-7-4-3-6-16(18)13-23/h3-4,6-7,9-10,12,15H,5,8,11H2,1-2H3,(H,24,26)/t15-/m1/s1