[1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-chloranyl-3-methyl-phenoxy)butanoate

Systemtic Name: [1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-chloranyl-3-methyl-phenoxy)butanoate Openeye Name: [2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl] 4-(4-chloro-3-methyl-phenoxy)butanoate CAS Name: 4-(4-chloro-3-methylphenoxy)butanoic acid [1-(4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-cyanoanilino)-1-oxopropan-2-yl] 4-(4-chloro-3-methylphenoxy)butanoate Traditional Name: 4-(4-chloro-3-methyl-phenoxy)butyric acid [2-(4-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)OCCCC(=O)OC(C)C(=O)NC2=CC=C(C=C2)C#N)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCC(=O)OC(C)C(=O)NC2=CC=C(C=C2)C#N)Cl

InChI

InChI=1S/C21H21ClN2O4/c1-14-12-18(9-10-19(14)22)27-11-3-4-20(25)28-15(2)21(26)24-17-7-5-16(13-23)6-8-17/h5-10,12,15H,3-4,11H2,1-2H3,(H,24,26)