(E)-but-2-enedioic acid; N,N-diethyl-3-[3-(imidazol-1-ylmethyl)indol-1-yl]propanamide

Systemtic Name: (E)-but-2-enedioic acid; N,N-diethyl-3-[3-(imidazol-1-ylmethyl)indol-1-yl]propanamide Openeye Name: N,N-diethyl-3-[3-(imidazol-1-ylmethyl)indol-1-yl]propanamide; fumaric acid CAS Name: (E)-2-butenedioic acid; N,N-diethyl-3-[3-(1-imidazolylmethyl)-1-indolyl]propanamide IUPAC Name: (E)-but-2-enedioic acid; N,N-diethyl-3-[3-(imidazol-1-ylmethyl)indol-1-yl]propanamide Traditional Name: N,N-diethyl-3-[3-(imidazol-1-ylmethyl)indol-1-yl]propionamide; fumaric acid Formula: C23H28N4O5 MolecularWeight: 440.49222

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CCN1C=C(C2=CC=CC=C21)CN3C=CN=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCN(CC)C(=O)CCN1C=C(C2=CC=CC=C21)CN3C=CN=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H24N4O.C4H4O4/c1-3-22(4-2)19(24)9-11-23-14-16(13-21-12-10-20-15-21)17-7-5-6-8-18(17)23;5-3(6)1-2-4(7)8/h5-8,10,12,14-15H,3-4,9,11,13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+