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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(C2=CC=C(S2)Br)N3CCCC3C(=O)O)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(C2=CC=C(S2)Br)N3CCCC3C(=O)O)OC)OC

InChI

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