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

Systemtic Name: 2-[[(E)-3-(3-chloranyl-4-fluoranyl-phenyl)prop-2-enoyl]amino]-2-methyl-pentanoic acid Openeye Name: 2-[[(E)-3-(3-chloro-4-fluoro-phenyl)prop-2-enoyl]amino]-2-methyl-pentanoic acid CAS Name: 2-[[(E)-3-(3-chloro-4-fluorophenyl)-1-oxoprop-2-enyl]amino]-2-methylpentanoic acid IUPAC Name: 2-[[(E)-3-(3-chloro-4-fluorophenyl)prop-2-enoyl]amino]-2-methylpentanoic acid Traditional Name: 2-[[(E)-3-(3-chloro-4-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=CC(=C(C=C1)F)Cl

Isomeric SMILES

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

InChI

InChI=1S/C15H17ClFNO3/c1-3-8-15(2,14(20)21)18-13(19)7-5-10-4-6-12(17)11(16)9-10/h4-7,9H,3,8H2,1-2H3,(H,18,19)(H,20,21)/b7-5+