(E)-but-2-enedioic acid; 1-methyl-3-[3-(5-methyl-1H-imidazol-4-yl)propyl]indole

Systemtic Name: (E)-but-2-enedioic acid; 1-methyl-3-[3-(5-methyl-1H-imidazol-4-yl)propyl]indole Openeye Name: fumaric acid; 1-methyl-3-[3-(5-methyl-1H-imidazol-4-yl)propyl]indole CAS Name: (E)-2-butenedioic acid; 1-methyl-3-[3-(5-methyl-1H-imidazol-4-yl)propyl]indole IUPAC Name: (E)-but-2-enedioic acid; 1-methyl-3-[3-(5-methyl-1H-imidazol-4-yl)propyl]indole Traditional Name: fumaric acid; 1-methyl-3-[3-(5-methyl-1H-imidazol-4-yl)propyl]indole Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CCCC2=CN(C3=CC=CC=C32)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(N=CN1)CCCC2=CN(C3=CC=CC=C32)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H19N3.C4H4O4/c1-12-15(18-11-17-12)8-5-6-13-10-19(2)16-9-4-3-7-14(13)16;5-3(6)1-2-4(7)8/h3-4,7,9-11H,5-6,8H2,1-2H3,(H,17,18);1-2H,(H,5,6)(H,7,8)/b;2-1+