bis[3-[2-[(triphenylmethyl)amino]ethyl]-1H-indol-5-yl] (E)-but-2-enedioate

Systemtic Name: bis[3-[2-[(triphenylmethyl)amino]ethyl]-1H-indol-5-yl] (E)-but-2-enedioate Openeye Name: bis[3-[2-(tritylamino)ethyl]-1H-indol-5-yl] (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid bis[3-[2-[(triphenylmethyl)amino]ethyl]-1H-indol-5-yl] ester IUPAC Name: bis[3-[2-(tritylamino)ethyl]-1H-indol-5-yl] (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid bis[3-[2-(tritylamino)ethyl]-1H-indol-5-yl] ester Formula: C62H52N4O4 MolecularWeight: 917.10068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NCCC4=CNC5=C4C=C(C=C5)OC(=O)C=CC(=O)OC6=CC7=C(C=C6)NC=C7CCNC(C8=CC=CC=C8)(C9=CC=CC=C9)C1=CC=CC=C1

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NCCC4=CNC5=C4C=C(C=C5)OC(=O)/C=C/C(=O)OC6=CC7=C(C=C6)NC=C7CCNC(C8=CC=CC=C8)(C9=CC=CC=C9)C1=CC=CC=C1

InChI

InChI=1S/C62H52N4O4/c67-59(69-53-31-33-57-55(41-53)45(43-63-57)37-39-65-61(47-19-7-1-8-20-47,48-21-9-2-10-22-48)49-23-11-3-12-24-49)35-36-60(68)70-54-32-34-58-56(42-54)46(44-64-58)38-40-66-62(50-25-13-4-14-26-50,51-27-15-5-16-28-51)52-29-17-6-18-30-52/h1-36,41-44,63-66H,37-40H2/b36-35+