1-[(2-bromanyl-4,5-dimethoxy-phenyl)-thiophen-2-yl-methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)-thiophen-2-yl-methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(2-thienyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-thiophen-2-ylmethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-thiophen-2-ylmethyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(2-thienyl)methyl]proline Formula: C18H20BrNO4S MolecularWeight: 426.3247

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(C2=CC=CS2)N3CCCC3C(=O)O)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(C2=CC=CS2)N3CCCC3C(=O)O)Br)OC

InChI

InChI=1S/C18H20BrNO4S/c1-23-14-9-11(12(19)10-15(14)24-2)17(16-6-4-8-25-16)20-7-3-5-13(20)18(21)22/h4,6,8-10,13,17H,3,5,7H2,1-2H3,(H,21,22)