2-[[4-cyano-3-(trifluoromethyl)phenyl]-(cyclopropylmethyl)amino]ethanoic acid

Systemtic Name: 2-[[4-cyano-3-(trifluoromethyl)phenyl]-(cyclopropylmethyl)amino]ethanoic acid Openeye Name: 2-[4-cyano-N-(cyclopropylmethyl)-3-(trifluoromethyl)anilino]acetic acid CAS Name: 2-[4-cyano-N-(cyclopropylmethyl)-3-(trifluoromethyl)anilino]acetic acid IUPAC Name: 2-[4-cyano-N-(cyclopropylmethyl)-3-(trifluoromethyl)anilino]acetic acid Traditional Name: 2-[4-cyano-N-(cyclopropylmethyl)-3-(trifluoromethyl)anilino]acetic acid Formula: C14H13F3N2O2 MolecularWeight: 298.26043

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CN(CC(=O)O)C2=CC(=C(C=C2)C#N)C(F)(F)F

Isomeric SMILES

C1CC1CN(CC(=O)O)C2=CC(=C(C=C2)C#N)C(F)(F)F

InChI

InChI=1S/C14H13F3N2O2/c15-14(16,17)12-5-11(4-3-10(12)6-18)19(8-13(20)21)7-9-1-2-9/h3-5,9H,1-2,7-8H2,(H,20,21)