(E)-but-2-enedioic acid; 3-[(5-methyl-1H-imidazol-4-yl)methyl]-9-prop-2-enyl-2,3-dihydro-1H-carbazol-4-one

Systemtic Name: (E)-but-2-enedioic acid; 3-[(5-methyl-1H-imidazol-4-yl)methyl]-9-prop-2-enyl-2,3-dihydro-1H-carbazol-4-one Openeye Name: 9-allyl-3-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3-dihydro-1H-carbazol-4-one; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-[(5-methyl-1H-imidazol-4-yl)methyl]-9-prop-2-enyl-2,3-dihydro-1H-carbazol-4-one IUPAC Name: (E)-but-2-enedioic acid; 3-[(5-methyl-1H-imidazol-4-yl)methyl]-9-prop-2-enyl-2,3-dihydro-1H-carbazol-4-one Traditional Name: 9-allyl-3-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3-dihydro-1H-carbazol-4-one; fumaric acid Formula: C24H25N3O5 MolecularWeight: 435.4724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CC2CCC3=C(C2=O)C4=CC=CC=C4N3CC=C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(N=CN1)CC2CCC3=C(C2=O)C4=CC=CC=C4N3CC=C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H21N3O.C4H4O4/c1-3-10-23-17-7-5-4-6-15(17)19-18(23)9-8-14(20(19)24)11-16-13(2)21-12-22-16;5-3(6)1-2-4(7)8/h3-7,12,14H,1,8-11H2,2H3,(H,21,22);1-2H,(H,5,6)(H,7,8)/b;2-1+