ethyl 3-[4-(4-chloranyl-3,5-dimethyl-phenoxy)butanoylamino]benzoate

Systemtic Name: ethyl 3-[4-(4-chloranyl-3,5-dimethyl-phenoxy)butanoylamino]benzoate Openeye Name: ethyl 3-[4-(4-chloro-3,5-dimethyl-phenoxy)butanoylamino]benzoate CAS Name: 3-[[4-(4-chloro-3,5-dimethylphenoxy)-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[4-(4-chloro-3,5-dimethylphenoxy)butanoylamino]benzoate Traditional Name: 3-[4-(4-chloro-3,5-dimethyl-phenoxy)butanoylamino]benzoic acid ethyl ester Formula: C21H24ClNO4 MolecularWeight: 389.87256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CCCOC2=CC(=C(C(=C2)C)Cl)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CCCOC2=CC(=C(C(=C2)C)Cl)C

InChI

InChI=1S/C21H24ClNO4/c1-4-26-21(25)16-7-5-8-17(13-16)23-19(24)9-6-10-27-18-11-14(2)20(22)15(3)12-18/h5,7-8,11-13H,4,6,9-10H2,1-3H3,(H,23,24)