(2S)-2-[[4-(trifluoromethyl)phenyl]methylamino]pentanedioic acid

Systemtic Name: (2S)-2-[[4-(trifluoromethyl)phenyl]methylamino]pentanedioic acid Openeye Name: (2S)-2-[[4-(trifluoromethyl)phenyl]methylamino]pentanedioic acid CAS Name: (2S)-2-[[4-(trifluoromethyl)phenyl]methylamino]pentanedioic acid IUPAC Name: (2S)-2-[[4-(trifluoromethyl)phenyl]methylamino]pentanedioic acid Traditional Name: (2S)-2-[[4-(trifluoromethyl)benzyl]amino]glutaric acid Formula: C13H14F3NO4 MolecularWeight: 305.24977

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(CCC(=O)O)C(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1CN[C@@H](CCC(=O)O)C(=O)O)C(F)(F)F

InChI

InChI=1S/C13H14F3NO4/c14-13(15,16)9-3-1-8(2-4-9)7-17-10(12(20)21)5-6-11(18)19/h1-4,10,17H,5-7H2,(H,18,19)(H,20,21)/t10-/m0/s1