2-[[(E)-3-(3-chloranyl-4-fluoranyl-phenyl)prop-2-enoyl]amino]-3-methyl-butanoic acid

Systemtic Name: 2-[[(E)-3-(3-chloranyl-4-fluoranyl-phenyl)prop-2-enoyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[(E)-3-(3-chloro-4-fluoro-phenyl)prop-2-enoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[(E)-3-(3-chloro-4-fluorophenyl)-1-oxoprop-2-enyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[(E)-3-(3-chloro-4-fluorophenyl)prop-2-enoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[(E)-3-(3-chloro-4-fluoro-phenyl)acryloyl]amino]-3-methyl-butyric acid Formula: C14H15ClFNO3 MolecularWeight: 299.725203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C=CC1=CC(=C(C=C1)F)Cl

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)/C=C/C1=CC(=C(C=C1)F)Cl

InChI

InChI=1S/C14H15ClFNO3/c1-8(2)13(14(19)20)17-12(18)6-4-9-3-5-11(16)10(15)7-9/h3-8,13H,1-2H3,(H,17,18)(H,19,20)/b6-4+