2-acetamido-3-[3-bromanyl-2-methyl-4-(4-oxidanylphenoxy)phenyl]propanoic acid

Systemtic Name: 2-acetamido-3-[3-bromanyl-2-methyl-4-(4-oxidanylphenoxy)phenyl]propanoic acid Openeye Name: 2-acetamido-3-[3-bromo-4-(4-hydroxyphenoxy)-2-methyl-phenyl]propanoic acid CAS Name: 2-acetamido-3-[3-bromo-4-(4-hydroxyphenoxy)-2-methylphenyl]propanoic acid IUPAC Name: 2-acetamido-3-[3-bromo-4-(4-hydroxyphenoxy)-2-methylphenyl]propanoic acid Traditional Name: 2-acetamido-3-[3-bromo-4-(4-hydroxyphenoxy)-2-methyl-phenyl]propionic acid Formula: C18H18BrNO5 MolecularWeight: 408.24322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1Br)OC2=CC=C(C=C2)O)CC(C(=O)O)NC(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1Br)OC2=CC=C(C=C2)O)CC(C(=O)O)NC(=O)C

InChI

InChI=1S/C18H18BrNO5/c1-10-12(9-15(18(23)24)20-11(2)21)3-8-16(17(10)19)25-14-6-4-13(22)5-7-14/h3-8,15,22H,9H2,1-2H3,(H,20,21)(H,23,24)