(E)-but-2-enedioic acid; 1-(cyclohexylamino)-3-(1H-indol-4-yloxy)propan-2-ol

Systemtic Name: (E)-but-2-enedioic acid; 1-(cyclohexylamino)-3-(1H-indol-4-yloxy)propan-2-ol Openeye Name: 1-(cyclohexylamino)-3-(1H-indol-4-yloxy)propan-2-ol; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-(cyclohexylamino)-3-(1H-indol-4-yloxy)-2-propanol IUPAC Name: (E)-but-2-enedioic acid; 1-(cyclohexylamino)-3-(1H-indol-4-yloxy)propan-2-ol Traditional Name: 1-(cyclohexylamino)-3-(1H-indol-4-yloxy)propan-2-ol; fumaric acid Formula: C21H28N2O6 MolecularWeight: 404.45682

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NCC(COC2=CC=CC3=C2C=CN3)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CCC(CC1)NCC(COC2=CC=CC3=C2C=CN3)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H24N2O2.C4H4O4/c20-14(11-19-13-5-2-1-3-6-13)12-21-17-8-4-7-16-15(17)9-10-18-16;5-3(6)1-2-4(7)8/h4,7-10,13-14,18-20H,1-3,5-6,11-12H2;1-2H,(H,5,6)(H,7,8)/b;2-1+