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

Systemtic Name: (E)-but-2-enedioic acid; 3-[(2-methylimidazol-1-yl)methyl]-9-propyl-2,3-dihydro-1H-carbazol-4-one Openeye Name: fumaric acid; 3-[(2-methylimidazol-1-yl)methyl]-9-propyl-2,3-dihydro-1H-carbazol-4-one CAS Name: (E)-2-butenedioic acid; 3-[(2-methyl-1-imidazolyl)methyl]-9-propyl-2,3-dihydro-1H-carbazol-4-one IUPAC Name: (E)-but-2-enedioic acid; 3-[(2-methylimidazol-1-yl)methyl]-9-propyl-2,3-dihydro-1H-carbazol-4-one Traditional Name: fumaric acid; 3-[(2-methylimidazol-1-yl)methyl]-9-propyl-2,3-dihydro-1H-carbazol-4-one Formula: C24H27N3O5 MolecularWeight: 437.48828

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C3=CC=CC=C31)C(=O)C(CC2)CN4C=CN=C4C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCN1C2=C(C3=CC=CC=C31)C(=O)C(CC2)CN4C=CN=C4C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H23N3O.C4H4O4/c1-3-11-23-17-7-5-4-6-16(17)19-18(23)9-8-15(20(19)24)13-22-12-10-21-14(22)2;5-3(6)1-2-4(7)8/h4-7,10,12,15H,3,8-9,11,13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+