2-(2-chloranylethanoylamino)-3-[3-methoxy-4-(trifluoromethyl)phenyl]propanoic acid

Systemtic Name: 2-(2-chloranylethanoylamino)-3-[3-methoxy-4-(trifluoromethyl)phenyl]propanoic acid Openeye Name: 2-[(2-chloroacetyl)amino]-3-[3-methoxy-4-(trifluoromethyl)phenyl]propanoic acid CAS Name: 2-[(2-chloro-1-oxoethyl)amino]-3-[3-methoxy-4-(trifluoromethyl)phenyl]propanoic acid IUPAC Name: 2-[(2-chloroacetyl)amino]-3-[3-methoxy-4-(trifluoromethyl)phenyl]propanoic acid Traditional Name: 2-[(2-chloroacetyl)amino]-3-[3-methoxy-4-(trifluoromethyl)phenyl]propionic acid Formula: C13H13ClF3NO4 MolecularWeight: 339.69483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC(C(=O)O)NC(=O)CCl)C(F)(F)F

Isomeric SMILES

COC1=C(C=CC(=C1)CC(C(=O)O)NC(=O)CCl)C(F)(F)F

InChI

InChI=1S/C13H13ClF3NO4/c1-22-10-5-7(2-3-8(10)13(15,16)17)4-9(12(20)21)18-11(19)6-14/h2-3,5,9H,4,6H2,1H3,(H,18,19)(H,20,21)