methyl 3-[2-chloranyl-5-(trifluoromethyl)phenyl]-5-(2-dimethylaminoethylcarbamoyl)benzoate

Systemtic Name: methyl 3-[2-chloranyl-5-(trifluoromethyl)phenyl]-5-(2-dimethylaminoethylcarbamoyl)benzoate Openeye Name: methyl 3-[2-chloro-5-(trifluoromethyl)phenyl]-5-(2-dimethylaminoethylcarbamoyl)benzoate CAS Name: 3-[2-chloro-5-(trifluoromethyl)phenyl]-5-[(2-dimethylaminoethylamino)-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-chloro-5-(trifluoromethyl)phenyl]-5-(2-dimethylaminoethylcarbamoyl)benzoate Traditional Name: 3-[2-chloro-5-(trifluoromethyl)phenyl]-5-(2-dimethylaminoethylcarbamoyl)benzoic acid methyl ester Formula: C20H20ClF3N2O3 MolecularWeight: 428.83261

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=O)C1=CC(=CC(=C1)C2=C(C=CC(=C2)C(F)(F)F)Cl)C(=O)OC

Isomeric SMILES

CN(C)CCNC(=O)C1=CC(=CC(=C1)C2=C(C=CC(=C2)C(F)(F)F)Cl)C(=O)OC

InChI

InChI=1S/C20H20ClF3N2O3/c1-26(2)7-6-25-18(27)13-8-12(9-14(10-13)19(28)29-3)16-11-15(20(22,23)24)4-5-17(16)21/h4-5,8-11H,6-7H2,1-3H3,(H,25,27)