2-[3-(4-fluorophenyl)propanoylamino]-3-methyl-pentanoic acid

Systemtic Name: 2-[3-(4-fluorophenyl)propanoylamino]-3-methyl-pentanoic acid Openeye Name: 2-[3-(4-fluorophenyl)propanoylamino]-3-methyl-pentanoic acid CAS Name: 2-[[3-(4-fluorophenyl)-1-oxopropyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[3-(4-fluorophenyl)propanoylamino]-3-methylpentanoic acid Traditional Name: 2-[3-(4-fluorophenyl)propanoylamino]-3-methyl-valeric acid Formula: C15H20FNO3 MolecularWeight: 281.322603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20FNO3/c1-3-10(2)14(15(19)20)17-13(18)9-6-11-4-7-12(16)8-5-11/h4-5,7-8,10,14H,3,6,9H2,1-2H3,(H,17,18)(H,19,20)