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

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(3-ethoxy-4-phenylmethoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(5-bromo-2-thienyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(5-bromo-2-thienyl)methyl]proline Formula: C25H26BrNO4S MolecularWeight: 516.44724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=CC=C(S2)Br)N3CCCC3C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC=C(S2)Br)N3CCCC3C(=O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H26BrNO4S/c1-2-30-21-15-18(10-11-20(21)31-16-17-7-4-3-5-8-17)24(22-12-13-23(26)32-22)27-14-6-9-19(27)25(28)29/h3-5,7-8,10-13,15,19,24H,2,6,9,14,16H2,1H3,(H,28,29)