2-(prop-2-enoylamino)-3-[3-(trifluoromethyloxy)phenyl]hexanoic acid

Systemtic Name: 2-(prop-2-enoylamino)-3-[3-(trifluoromethyloxy)phenyl]hexanoic acid Openeye Name: 2-(prop-2-enoylamino)-3-[3-(trifluoromethoxy)phenyl]hexanoic acid CAS Name: 2-(1-oxoprop-2-enylamino)-3-[3-(trifluoromethoxy)phenyl]hexanoic acid IUPAC Name: 2-(prop-2-enoylamino)-3-[3-(trifluoromethoxy)phenyl]hexanoic acid Traditional Name: 2-acrylamido-3-[3-(trifluoromethoxy)phenyl]hexanoic acid Formula: C16H18F3NO4 MolecularWeight: 345.31363

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC(=CC=C1)OC(F)(F)F)C(C(=O)O)NC(=O)C=C

Isomeric SMILES

CCCC(C1=CC(=CC=C1)OC(F)(F)F)C(C(=O)O)NC(=O)C=C

InChI

InChI=1S/C16H18F3NO4/c1-3-6-12(14(15(22)23)20-13(21)4-2)10-7-5-8-11(9-10)24-16(17,18)19/h4-5,7-9,12,14H,2-3,6H2,1H3,(H,20,21)(H,22,23)