2-[[4-(prop-2-ynylamino)-2-(trifluoromethyl)phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-(prop-2-ynylamino)-2-(trifluoromethyl)phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-(prop-2-ynylamino)-2-(trifluoromethyl)benzoyl]amino]pentanedioic acid CAS Name: 2-[[oxo-[4-(prop-2-ynylamino)-2-(trifluoromethyl)phenyl]methyl]amino]pentanedioic acid IUPAC Name: 2-[[4-(prop-2-ynylamino)-2-(trifluoromethyl)benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-(propargylamino)-2-(trifluoromethyl)benzoyl]amino]glutaric acid Formula: C16H15F3N2O5 MolecularWeight: 372.29591

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC1=CC(=C(C=C1)C(=O)NC(CCC(=O)O)C(=O)O)C(F)(F)F

Isomeric SMILES

C#CCNC1=CC(=C(C=C1)C(=O)NC(CCC(=O)O)C(=O)O)C(F)(F)F

InChI

InChI=1S/C16H15F3N2O5/c1-2-7-20-9-3-4-10(11(8-9)16(17,18)19)14(24)21-12(15(25)26)5-6-13(22)23/h1,3-4,8,12,20H,5-7H2,(H,21,24)(H,22,23)(H,25,26)