(3-bromanyl-4-methoxy-phenyl)methyl (2S)-2-(furan-2-ylcarbonylamino)-3-methyl-butanoate

Systemtic Name: (3-bromanyl-4-methoxy-phenyl)methyl (2S)-2-(furan-2-ylcarbonylamino)-3-methyl-butanoate Openeye Name: (3-bromo-4-methoxy-phenyl)methyl (2S)-2-(furan-2-carbonylamino)-3-methyl-butanoate CAS Name: (2S)-2-[[2-furanyl(oxo)methyl]amino]-3-methylbutanoic acid (3-bromo-4-methoxyphenyl)methyl ester IUPAC Name: (3-bromo-4-methoxyphenyl)methyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate Traditional Name: (2S)-2-(2-furoylamino)-3-methyl-butyric acid (3-bromo-4-methoxy-benzyl) ester Formula: C18H20BrNO5 MolecularWeight: 410.2591

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC(=C(C=C1)OC)Br)NC(=O)C2=CC=CO2

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC(=C(C=C1)OC)Br)NC(=O)C2=CC=CO2

InChI

InChI=1S/C18H20BrNO5/c1-11(2)16(20-17(21)15-5-4-8-24-15)18(22)25-10-12-6-7-14(23-3)13(19)9-12/h4-9,11,16H,10H2,1-3H3,(H,20,21)/t16-/m0/s1