(3S)-1-[(3-bromanyl-4,5-dimethoxy-phenyl)methyl]-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (3S)-1-[(3-bromanyl-4,5-dimethoxy-phenyl)methyl]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (3S)-1-[(3-bromo-4,5-dimethoxy-phenyl)methyl]-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-[(3-bromo-4,5-dimethoxyphenyl)methyl]-5-oxo-3-pyrrolidinecarboxylate IUPAC Name: (3S)-1-[(3-bromo-4,5-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(3-bromo-4,5-dimethoxy-benzyl)-5-keto-pyrrolidine-3-carboxylate Formula: C14H15BrNO5- MolecularWeight: 357.1766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CN2CC(CC2=O)C(=O)[O-])Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)CN2C[C@H](CC2=O)C(=O)[O-])Br)OC

InChI

InChI=1S/C14H16BrNO5/c1-20-11-4-8(3-10(15)13(11)21-2)6-16-7-9(14(18)19)5-12(16)17/h3-4,9H,5-7H2,1-2H3,(H,18,19)/p-1/t9-/m0/s1