2-[3-[3,4-bis(fluoranyl)phenyl]propanoylamino]-3-methyl-pentanoic acid

Systemtic Name: 2-[3-[3,4-bis(fluoranyl)phenyl]propanoylamino]-3-methyl-pentanoic acid Openeye Name: 2-[3-(3,4-difluorophenyl)propanoylamino]-3-methyl-pentanoic acid CAS Name: 2-[[3-(3,4-difluorophenyl)-1-oxopropyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[3-(3,4-difluorophenyl)propanoylamino]-3-methylpentanoic acid Traditional Name: 2-[3-(3,4-difluorophenyl)propanoylamino]-3-methyl-valeric acid Formula: C15H19F2NO3 MolecularWeight: 299.313066

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)CCC1=CC(=C(C=C1)F)F

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)CCC1=CC(=C(C=C1)F)F

InChI

InChI=1S/C15H19F2NO3/c1-3-9(2)14(15(20)21)18-13(19)7-5-10-4-6-11(16)12(17)8-10/h4,6,8-9,14H,3,5,7H2,1-2H3,(H,18,19)(H,20,21)