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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CC(=O)CC2=CC3=CC=CC=C3N2C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(N=CN1)CC(=O)CC2=CC3=CC=CC=C3N2C.C(=C/C(=O)O)\C(=O)O

InChI

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