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

Systemtic Name: 2-[3-(3-bromanyl-4-methoxy-phenyl)propanoylamino]-3-oxidanyl-butanoic acid Openeye Name: 2-[3-(3-bromo-4-methoxy-phenyl)propanoylamino]-3-hydroxy-butanoic acid CAS Name: 2-[[3-(3-bromo-4-methoxyphenyl)-1-oxopropyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-[3-(3-bromo-4-methoxyphenyl)propanoylamino]-3-hydroxybutanoic acid Traditional Name: 2-[3-(3-bromo-4-methoxy-phenyl)propanoylamino]-3-hydroxy-butyric acid Formula: C14H18BrNO5 MolecularWeight: 360.20042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18BrNO5/c1-8(17)13(14(19)20)16-12(18)6-4-9-3-5-11(21-2)10(15)7-9/h3,5,7-8,13,17H,4,6H2,1-2H3,(H,16,18)(H,19,20)