(E)-but-2-enedioic acid; 1-(propan-2-ylamino)-3-[2-(1H-pyrrol-2-yl)phenoxy]propan-2-ol

Systemtic Name: (E)-but-2-enedioic acid; 1-(propan-2-ylamino)-3-[2-(1H-pyrrol-2-yl)phenoxy]propan-2-ol Openeye Name: fumaric acid; 1-(isopropylamino)-3-[2-(1H-pyrrol-2-yl)phenoxy]propan-2-ol CAS Name: (E)-2-butenedioic acid; 1-(propan-2-ylamino)-3-[2-(1H-pyrrol-2-yl)phenoxy]-2-propanol IUPAC Name: (E)-but-2-enedioic acid; 1-(propan-2-ylamino)-3-[2-(1H-pyrrol-2-yl)phenoxy]propan-2-ol Traditional Name: fumaric acid; 1-(isopropylamino)-3-[2-(1H-pyrrol-2-yl)phenoxy]propan-2-ol Formula: C36H48N4O8 MolecularWeight: 664.78832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COC1=CC=CC=C1C2=CC=CN2)O.CC(C)NCC(COC1=CC=CC=C1C2=CC=CN2)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)NCC(COC1=CC=CC=C1C2=CC=CN2)O.CC(C)NCC(COC1=CC=CC=C1C2=CC=CN2)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/2C16H22N2O2.C4H4O4/c2*1-12(2)18-10-13(19)11-20-16-8-4-3-6-14(16)15-7-5-9-17-15;5-3(6)1-2-4(7)8/h2*3-9,12-13,17-19H,10-11H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+