1-[(5-bromanylthiophen-2-yl)-(2,6-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(2,6-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-thienyl)-(2,6-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-(2,6-dimethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-(2,6-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-thienyl)-(2,6-dimethoxyphenyl)methyl]proline Formula: C18H20BrNO4S MolecularWeight: 426.3247

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(C2=CC=C(S2)Br)N3CCCC3C(=O)O

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(C2=CC=C(S2)Br)N3CCCC3C(=O)O

InChI

InChI=1S/C18H20BrNO4S/c1-23-12-6-3-7-13(24-2)16(12)17(14-8-9-15(19)25-14)20-10-4-5-11(20)18(21)22/h3,6-9,11,17H,4-5,10H2,1-2H3,(H,21,22)