(E)-but-2-enedioic acid; 1-carbazol-9-yl-3-[4-(3-carbazol-9-yl-2-oxidanyl-propyl)piperazin-1-yl]propan-2-ol

Systemtic Name: (E)-but-2-enedioic acid; 1-carbazol-9-yl-3-[4-(3-carbazol-9-yl-2-oxidanyl-propyl)piperazin-1-yl]propan-2-ol Openeye Name: 1-carbazol-9-yl-3-[4-(3-carbazol-9-yl-2-hydroxy-propyl)piperazin-1-yl]propan-2-ol; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-(9-carbazolyl)-3-[4-[3-(9-carbazolyl)-2-hydroxypropyl]-1-piperazinyl]-2-propanol IUPAC Name: (E)-but-2-enedioic acid; 1-carbazol-9-yl-3-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]propan-2-ol Traditional Name: 1-carbazol-9-yl-3-[4-(3-carbazol-9-yl-2-hydroxy-propyl)piperazino]propan-2-ol; fumaric acid Formula: C38H40N4O6 MolecularWeight: 648.7474

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CN2C3=CC=CC=C3C4=CC=CC=C42)O)CC(CN5C6=CC=CC=C6C7=CC=CC=C75)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCN1CC(CN2C3=CC=CC=C3C4=CC=CC=C42)O)CC(CN5C6=CC=CC=C6C7=CC=CC=C75)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C34H36N4O2.C4H4O4/c39-25(23-37-31-13-5-1-9-27(31)28-10-2-6-14-32(28)37)21-35-17-19-36(20-18-35)22-26(40)24-38-33-15-7-3-11-29(33)30-12-4-8-16-34(30)38;5-3(6)1-2-4(7)8/h1-16,25-26,39-40H,17-24H2;1-2H,(H,5,6)(H,7,8)/b;2-1+