(E)-but-2-enedioic acid; 3-[(2-methylimidazol-1-yl)methyl]-9-phenyl-2,3-dihydro-1H-carbazol-4-one

Systemtic Name: (E)-but-2-enedioic acid; 3-[(2-methylimidazol-1-yl)methyl]-9-phenyl-2,3-dihydro-1H-carbazol-4-one Openeye Name: fumaric acid; 3-[(2-methylimidazol-1-yl)methyl]-9-phenyl-2,3-dihydro-1H-carbazol-4-one CAS Name: (E)-2-butenedioic acid; 3-[(2-methyl-1-imidazolyl)methyl]-9-phenyl-2,3-dihydro-1H-carbazol-4-one IUPAC Name: (E)-but-2-enedioic acid; 3-[(2-methylimidazol-1-yl)methyl]-9-phenyl-2,3-dihydro-1H-carbazol-4-one Traditional Name: fumaric acid; 3-[(2-methylimidazol-1-yl)methyl]-9-phenyl-2,3-dihydro-1H-carbazol-4-one Formula: C27H25N3O5 MolecularWeight: 471.5045

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1CC2CCC3=C(C2=O)C4=CC=CC=C4N3C5=CC=CC=C5.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=NC=CN1CC2CCC3=C(C2=O)C4=CC=CC=C4N3C5=CC=CC=C5.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C23H21N3O.C4H4O4/c1-16-24-13-14-25(16)15-17-11-12-21-22(23(17)27)19-9-5-6-10-20(19)26(21)18-7-3-2-4-8-18;5-3(6)1-2-4(7)8/h2-10,13-14,17H,11-12,15H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+