1-[(5-bromanylthiophen-2-yl)-(4-ethoxy-3-methoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(4-ethoxy-3-methoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-thienyl)-(4-ethoxy-3-methoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-(4-ethoxy-3-methoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-(4-ethoxy-3-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-thienyl)-(4-ethoxy-3-methoxy-phenyl)methyl]proline Formula: C19H22BrNO4S MolecularWeight: 440.35128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C2=CC=C(S2)Br)N3CCCC3C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=CC=C(S2)Br)N3CCCC3C(=O)O)OC

InChI

InChI=1S/C19H22BrNO4S/c1-3-25-14-7-6-12(11-15(14)24-2)18(16-8-9-17(20)26-16)21-10-4-5-13(21)19(22)23/h6-9,11,13,18H,3-5,10H2,1-2H3,(H,22,23)