1-[(5-bromanylthiophen-2-yl)-(2,3,4-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(2,3,4-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-thienyl)-(2,3,4-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-(2,3,4-trimethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-(2,3,4-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-thienyl)-(2,3,4-trimethoxyphenyl)methyl]proline Formula: C19H22BrNO5S MolecularWeight: 456.35068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22BrNO5S/c1-24-13-7-6-11(17(25-2)18(13)26-3)16(14-8-9-15(20)27-14)21-10-4-5-12(21)19(22)23/h6-9,12,16H,4-5,10H2,1-3H3,(H,22,23)