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

Systemtic Name: (E)-but-2-enedioic acid; 9-cyclopentyl-3-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3-dihydro-1H-carbazol-4-one Openeye Name: 9-cyclopentyl-3-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3-dihydro-1H-carbazol-4-one; fumaric acid CAS Name: (E)-2-butenedioic acid; 9-cyclopentyl-3-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3-dihydro-1H-carbazol-4-one IUPAC Name: (E)-but-2-enedioic acid; 9-cyclopentyl-3-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3-dihydro-1H-carbazol-4-one Traditional Name: 9-cyclopentyl-3-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3-dihydro-1H-carbazol-4-one; fumaric acid Formula: C26H29N3O5 MolecularWeight: 463.52556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CC2CCC3=C(C2=O)C4=CC=CC=C4N3C5CCCC5.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(N=CN1)CC2CCC3=C(C2=O)C4=CC=CC=C4N3C5CCCC5.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C22H25N3O.C4H4O4/c1-14-18(24-13-23-14)12-15-10-11-20-21(22(15)26)17-8-4-5-9-19(17)25(20)16-6-2-3-7-16;5-3(6)1-2-4(7)8/h4-5,8-9,13,15-16H,2-3,6-7,10-12H2,1H3,(H,23,24);1-2H,(H,5,6)(H,7,8)/b;2-1+