(4E)-5-(5-bromanyl-2-methoxy-phenyl)-1-[3-(dibutylamino)propyl]-4-[oxidanyl-(4-phenylmethoxyphenyl)methylidene]pyrrolidine-2,3-dione

Systemtic Name: (4E)-5-(5-bromanyl-2-methoxy-phenyl)-1-[3-(dibutylamino)propyl]-4-[oxidanyl-(4-phenylmethoxyphenyl)methylidene]pyrrolidine-2,3-dione Openeye Name: (4E)-4-[(4-benzyloxyphenyl)-hydroxy-methylene]-5-(5-bromo-2-methoxy-phenyl)-1-[3-(dibutylamino)propyl]pyrrolidine-2,3-dione CAS Name: (4E)-5-(5-bromo-2-methoxyphenyl)-1-[3-(dibutylamino)propyl]-4-[hydroxy-(4-phenylmethoxyphenyl)methylidene]pyrrolidine-2,3-dione IUPAC Name: (4E)-5-(5-bromo-2-methoxyphenyl)-1-[3-(dibutylamino)propyl]-4-[hydroxy-(4-phenylmethoxyphenyl)methylidene]pyrrolidine-2,3-dione Traditional Name: (4E)-4-[(4-benzoxyphenyl)-hydroxy-methylene]-5-(5-bromo-2-methoxy-phenyl)-1-[3-(dibutylamino)propyl]pyrrolidine-2,3-quinone Formula: C36H43BrN2O5 MolecularWeight: 663.64102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCCN1C(C(=C(C2=CC=C(C=C2)OCC3=CC=CC=C3)O)C(=O)C1=O)C4=C(C=CC(=C4)Br)OC

Isomeric SMILES

CCCCN(CCCC)CCCN1C(/C(=C(/C2=CC=C(C=C2)OCC3=CC=CC=C3)\O)/C(=O)C1=O)C4=C(C=CC(=C4)Br)OC

InChI

InChI=1S/C36H43BrN2O5/c1-4-6-20-38(21-7-5-2)22-11-23-39-33(30-24-28(37)16-19-31(30)43-3)32(35(41)36(39)42)34(40)27-14-17-29(18-15-27)44-25-26-12-9-8-10-13-26/h8-10,12-19,24,33,40H,4-7,11,20-23,25H2,1-3H3/b34-32+