(E)-but-2-enedioic acid; 1-(propan-2-ylamino)-3-(2-pyrrol-1-ylphenoxy)propan-2-ol

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COC1=CC=CC=C1N2C=CC=C2)O.CC(C)NCC(COC1=CC=CC=C1N2C=CC=C2)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)NCC(COC1=CC=CC=C1N2C=CC=C2)O.CC(C)NCC(COC1=CC=CC=C1N2C=CC=C2)O.C(=C/C(=O)O)\C(=O)O

InChI

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