methyl (2S)-2-acetamido-3-(2-bromanyl-4-methoxy-3-methyl-5-oxidanyl-phenyl)propanoate

Systemtic Name: methyl (2S)-2-acetamido-3-(2-bromanyl-4-methoxy-3-methyl-5-oxidanyl-phenyl)propanoate Openeye Name: methyl (2S)-2-acetamido-3-(2-bromo-5-hydroxy-4-methoxy-3-methyl-phenyl)propanoate CAS Name: (2S)-2-acetamido-3-(2-bromo-5-hydroxy-4-methoxy-3-methylphenyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-acetamido-3-(2-bromo-5-hydroxy-4-methoxy-3-methylphenyl)propanoate Traditional Name: (2S)-2-acetamido-3-(2-bromo-5-hydroxy-4-methoxy-3-methyl-phenyl)propionic acid methyl ester Formula: C14H18BrNO5 MolecularWeight: 360.20042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1OC)O)CC(C(=O)OC)NC(=O)C)Br

Isomeric SMILES

CC1=C(C(=CC(=C1OC)O)C[C@@H](C(=O)OC)NC(=O)C)Br

InChI

InChI=1S/C14H18BrNO5/c1-7-12(15)9(6-11(18)13(7)20-3)5-10(14(19)21-4)16-8(2)17/h6,10,18H,5H2,1-4H3,(H,16,17)/t10-/m0/s1