2-[3-(3-bromanyl-4-methoxy-phenyl)propanoylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[3-(3-bromanyl-4-methoxy-phenyl)propanoylamino]-3-methyl-butanoic acid Openeye Name: 2-[3-(3-bromo-4-methoxy-phenyl)propanoylamino]-3-methyl-butanoic acid CAS Name: 2-[[3-(3-bromo-4-methoxyphenyl)-1-oxopropyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[3-(3-bromo-4-methoxyphenyl)propanoylamino]-3-methylbutanoic acid Traditional Name: 2-[3-(3-bromo-4-methoxy-phenyl)propanoylamino]-3-methyl-butyric acid Formula: C15H20BrNO4 MolecularWeight: 358.2276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)CCC1=CC(=C(C=C1)OC)Br

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)CCC1=CC(=C(C=C1)OC)Br

InChI

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