(E)-but-2-enedioic acid; 3-(5-methyl-1H-imidazol-4-yl)-1-(1-methylindol-4-yl)propan-1-one

Systemtic Name: (E)-but-2-enedioic acid; 3-(5-methyl-1H-imidazol-4-yl)-1-(1-methylindol-4-yl)propan-1-one Openeye Name: fumaric acid; 3-(5-methyl-1H-imidazol-4-yl)-1-(1-methylindol-4-yl)propan-1-one CAS Name: (E)-2-butenedioic acid; 3-(5-methyl-1H-imidazol-4-yl)-1-(1-methyl-4-indolyl)-1-propanone IUPAC Name: (E)-but-2-enedioic acid; 3-(5-methyl-1H-imidazol-4-yl)-1-(1-methylindol-4-yl)propan-1-one Traditional Name: fumaric acid; 3-(5-methyl-1H-imidazol-4-yl)-1-(1-methylindol-4-yl)propan-1-one Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CCC(=O)C2=C3C=CN(C3=CC=C2)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(N=CN1)CCC(=O)C2=C3C=CN(C3=CC=C2)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H17N3O.C4H4O4/c1-11-14(18-10-17-11)6-7-16(20)13-4-3-5-15-12(13)8-9-19(15)2;5-3(6)1-2-4(7)8/h3-5,8-10H,6-7H2,1-2H3,(H,17,18);1-2H,(H,5,6)(H,7,8)/b;2-1+