2-[[(E)-3-(2-chloranyl-6-fluoranyl-phenyl)prop-2-enoyl]amino]-2-methyl-pentanoic acid

Systemtic Name: 2-[[(E)-3-(2-chloranyl-6-fluoranyl-phenyl)prop-2-enoyl]amino]-2-methyl-pentanoic acid Openeye Name: 2-[[(E)-3-(2-chloro-6-fluoro-phenyl)prop-2-enoyl]amino]-2-methyl-pentanoic acid CAS Name: 2-[[(E)-3-(2-chloro-6-fluorophenyl)-1-oxoprop-2-enyl]amino]-2-methylpentanoic acid IUPAC Name: 2-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]-2-methylpentanoic acid Traditional Name: 2-[[(E)-3-(2-chloro-6-fluoro-phenyl)acryloyl]amino]-2-methyl-valeric acid Formula: C15H17ClFNO3 MolecularWeight: 313.751783

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(=O)O)NC(=O)C=CC1=C(C=CC=C1Cl)F

Isomeric SMILES

CCCC(C)(C(=O)O)NC(=O)/C=C/C1=C(C=CC=C1Cl)F

InChI

InChI=1S/C15H17ClFNO3/c1-3-9-15(2,14(20)21)18-13(19)8-7-10-11(16)5-4-6-12(10)17/h4-8H,3,9H2,1-2H3,(H,18,19)(H,20,21)/b8-7+