2-[3-(3-bromanylphenoxy)propanoylamino]-3-methyl-pentanoic acid

Systemtic Name: 2-[3-(3-bromanylphenoxy)propanoylamino]-3-methyl-pentanoic acid Openeye Name: 2-[3-(3-bromophenoxy)propanoylamino]-3-methyl-pentanoic acid CAS Name: 2-[[3-(3-bromophenoxy)-1-oxopropyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[3-(3-bromophenoxy)propanoylamino]-3-methylpentanoic acid Traditional Name: 2-[3-(3-bromophenoxy)propanoylamino]-3-methyl-valeric acid Formula: C15H20BrNO4 MolecularWeight: 358.2276

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)CCOC1=CC(=CC=C1)Br

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)CCOC1=CC(=CC=C1)Br

InChI

InChI=1S/C15H20BrNO4/c1-3-10(2)14(15(19)20)17-13(18)7-8-21-12-6-4-5-11(16)9-12/h4-6,9-10,14H,3,7-8H2,1-2H3,(H,17,18)(H,19,20)