2-[[4-azanyl-2-(trifluoromethyl)phenyl]carbonyl-ethyl-amino]-2-ethyl-pentanedioic acid

Systemtic Name: 2-[[4-azanyl-2-(trifluoromethyl)phenyl]carbonyl-ethyl-amino]-2-ethyl-pentanedioic acid Openeye Name: 2-[[4-amino-2-(trifluoromethyl)benzoyl]-ethyl-amino]-2-ethyl-pentanedioic acid CAS Name: 2-[[[4-amino-2-(trifluoromethyl)phenyl]-oxomethyl]-ethylamino]-2-ethylpentanedioic acid IUPAC Name: 2-[[4-amino-2-(trifluoromethyl)benzoyl]-ethylamino]-2-ethylpentanedioic acid Traditional Name: 2-[[4-amino-2-(trifluoromethyl)benzoyl]-ethyl-amino]-2-ethyl-glutaric acid Formula: C17H21F3N2O5 MolecularWeight: 390.35425

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(=O)O)(C(=O)O)N(CC)C(=O)C1=C(C=C(C=C1)N)C(F)(F)F

Isomeric SMILES

CCC(CCC(=O)O)(C(=O)O)N(CC)C(=O)C1=C(C=C(C=C1)N)C(F)(F)F

InChI

InChI=1S/C17H21F3N2O5/c1-3-16(15(26)27,8-7-13(23)24)22(4-2)14(25)11-6-5-10(21)9-12(11)17(18,19)20/h5-6,9H,3-4,7-8,21H2,1-2H3,(H,23,24)(H,26,27)