(E)-but-2-enedioic acid; 1-(8-naphthalen-1-yloxyoctyl)-1,2,3-triphenyl-guanidine

Systemtic Name: (E)-but-2-enedioic acid; 1-(8-naphthalen-1-yloxyoctyl)-1,2,3-triphenyl-guanidine Openeye Name: fumaric acid; 1-[8-(1-naphthyloxy)octyl]-1,2,3-triphenyl-guanidine CAS Name: (E)-2-butenedioic acid; 1-[8-(1-naphthalenyloxy)octyl]-1,2,3-triphenylguanidine IUPAC Name: (E)-but-2-enedioic acid; 1-(8-naphthalen-1-yloxyoctyl)-1,2,3-triphenylguanidine Traditional Name: fumaric acid; 1-[8-(1-naphthoxy)octyl]-1,2,3-triphenyl-guanidine Formula: C41H43N3O5 MolecularWeight: 657.79722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=NC2=CC=CC=C2)N(CCCCCCCCOC3=CC=CC4=CC=CC=C43)C5=CC=CC=C5.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC(=NC2=CC=CC=C2)N(CCCCCCCCOC3=CC=CC4=CC=CC=C43)C5=CC=CC=C5.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C37H39N3O.C4H4O4/c1(2-4-17-30-41-36-28-18-20-31-19-14-15-27-35(31)36)3-16-29-40(34-25-12-7-13-26-34)37(38-32-21-8-5-9-22-32)39-33-23-10-6-11-24-33;5-3(6)1-2-4(7)8/h5-15,18-28H,1-4,16-17,29-30H2,(H,38,39);1-2H,(H,5,6)(H,7,8)/b;2-1+