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

Systemtic Name: (E)-but-2-enedioic acid; 3-(5-methyl-1H-imidazol-4-yl)-1-(1-methylindol-2-yl)propan-1-one Openeye Name: fumaric acid; 3-(5-methyl-1H-imidazol-4-yl)-1-(1-methylindol-2-yl)propan-1-one CAS Name: (E)-2-butenedioic acid; 3-(5-methyl-1H-imidazol-4-yl)-1-(1-methyl-2-indolyl)-1-propanone IUPAC Name: (E)-but-2-enedioic acid; 3-(5-methyl-1H-imidazol-4-yl)-1-(1-methylindol-2-yl)propan-1-one Traditional Name: fumaric acid; 3-(5-methyl-1H-imidazol-4-yl)-1-(1-methylindol-2-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=CC3=CC=CC=C3N2C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(N=CN1)CCC(=O)C2=CC3=CC=CC=C3N2C.C(=C/C(=O)O)\C(=O)O

InChI

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