1-[4-[4-[(2-butyl-1-benzofuran-3-yl)methyl]phenyl]phenyl]sulfonyl-4-phenylmethoxy-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-[4-[(2-butyl-1-benzofuran-3-yl)methyl]phenyl]phenyl]sulfonyl-4-phenylmethoxy-pyrrolidine-2-carboxylic acid Openeye Name: 4-benzyloxy-1-[4-[4-[(2-butylbenzofuran-3-yl)methyl]phenyl]phenyl]sulfonyl-pyrrolidine-2-carboxylic acid CAS Name: 1-[4-[4-[(2-butyl-3-benzofuranyl)methyl]phenyl]phenyl]sulfonyl-4-phenylmethoxy-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-[4-[(2-butyl-1-benzofuran-3-yl)methyl]phenyl]phenyl]sulfonyl-4-phenylmethoxypyrrolidine-2-carboxylic acid Traditional Name: 4-benzoxy-1-[4-[4-[(2-butylbenzofuran-3-yl)methyl]phenyl]phenyl]sulfonyl-proline Formula: C37H37NO6S MolecularWeight: 623.75778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2O1)CC3=CC=C(C=C3)C4=CC=C(C=C4)S(=O)(=O)N5CC(CC5C(=O)O)OCC6=CC=CC=C6

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2O1)CC3=CC=C(C=C3)C4=CC=C(C=C4)S(=O)(=O)N5CC(CC5C(=O)O)OCC6=CC=CC=C6

InChI

InChI=1S/C37H37NO6S/c1-2-3-12-36-33(32-11-7-8-13-35(32)44-36)22-26-14-16-28(17-15-26)29-18-20-31(21-19-29)45(41,42)38-24-30(23-34(38)37(39)40)43-25-27-9-5-4-6-10-27/h4-11,13-21,30,34H,2-3,12,22-25H2,1H3,(H,39,40)