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

Systemtic Name: 1-[4-[4-(3-butylindolizin-2-yl)phenyl]phenyl]sulfonyl-4-phenylmethoxy-pyrrolidine-2-carboxylic acid Openeye Name: 4-benzyloxy-1-[4-[4-(3-butylindolizin-2-yl)phenyl]phenyl]sulfonyl-pyrrolidine-2-carboxylic acid CAS Name: 1-[4-[4-(3-butyl-2-indolizinyl)phenyl]phenyl]sulfonyl-4-phenylmethoxy-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-[4-(3-butylindolizin-2-yl)phenyl]phenyl]sulfonyl-4-phenylmethoxypyrrolidine-2-carboxylic acid Traditional Name: 4-benzoxy-1-[4-[4-(3-butylindolizin-2-yl)phenyl]phenyl]sulfonyl-proline Formula: C36H36N2O5S MolecularWeight: 608.74644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C2N1C=CC=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)S(=O)(=O)N5CC(CC5C(=O)O)OCC6=CC=CC=C6

Isomeric SMILES

CCCCC1=C(C=C2N1C=CC=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)S(=O)(=O)N5CC(CC5C(=O)O)OCC6=CC=CC=C6

InChI

InChI=1S/C36H36N2O5S/c1-2-3-12-34-33(22-30-11-7-8-21-37(30)34)29-15-13-27(14-16-29)28-17-19-32(20-18-28)44(41,42)38-24-31(23-35(38)36(39)40)43-25-26-9-5-4-6-10-26/h4-11,13-22,31,35H,2-3,12,23-25H2,1H3,(H,39,40)