methyl 2-(4-aminocarbonylimidazol-1-yl)-4-[3-(trifluoromethyl)phenyl]butanoate

Systemtic Name: methyl 2-(4-aminocarbonylimidazol-1-yl)-4-[3-(trifluoromethyl)phenyl]butanoate Openeye Name: methyl 2-(4-carbamoylimidazol-1-yl)-4-[3-(trifluoromethyl)phenyl]butanoate CAS Name: 2-(4-carbamoyl-1-imidazolyl)-4-[3-(trifluoromethyl)phenyl]butanoic acid methyl ester IUPAC Name: methyl 2-(4-carbamoylimidazol-1-yl)-4-[3-(trifluoromethyl)phenyl]butanoate Traditional Name: 2-(4-carbamoylimidazol-1-yl)-4-[3-(trifluoromethyl)phenyl]butyric acid methyl ester Formula: C16H16F3N3O3 MolecularWeight: 355.31175

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC1=CC(=CC=C1)C(F)(F)F)N2C=C(N=C2)C(=O)N

Isomeric SMILES

COC(=O)C(CCC1=CC(=CC=C1)C(F)(F)F)N2C=C(N=C2)C(=O)N

InChI

InChI=1S/C16H16F3N3O3/c1-25-15(24)13(22-8-12(14(20)23)21-9-22)6-5-10-3-2-4-11(7-10)16(17,18)19/h2-4,7-9,13H,5-6H2,1H3,(H2,20,23)