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

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(3,5-dimethoxy-4-phenylmethoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3,5-dimethoxy-phenyl)-(5-bromo-2-thienyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(4-benzoxy-3,5-dimethoxy-phenyl)-(5-bromo-2-thienyl)methyl]proline Formula: C25H26BrNO5S MolecularWeight: 532.44664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=CC=C(S3)Br)N4CCCC4C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=CC=C(S3)Br)N4CCCC4C(=O)O

InChI

InChI=1S/C25H26BrNO5S/c1-30-19-13-17(14-20(31-2)24(19)32-15-16-7-4-3-5-8-16)23(21-10-11-22(26)33-21)27-12-6-9-18(27)25(28)29/h3-5,7-8,10-11,13-14,18,23H,6,9,12,15H2,1-2H3,(H,28,29)