(E)-but-2-enedioic acid; 3-(1-methylpyrrol-2-yl)-1-[2-[2-oxidanyl-3-(propylamino)propoxy]phenyl]propan-1-one

Systemtic Name: (E)-but-2-enedioic acid; 3-(1-methylpyrrol-2-yl)-1-[2-[2-oxidanyl-3-(propylamino)propoxy]phenyl]propan-1-one Openeye Name: fumaric acid; 1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-(1-methylpyrrol-2-yl)propan-1-one CAS Name: (E)-2-butenedioic acid; 1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-(1-methyl-2-pyrrolyl)-1-propanone IUPAC Name: (E)-but-2-enedioic acid; 1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-(1-methylpyrrol-2-yl)propan-1-one Traditional Name: fumaric acid; 1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-(1-methylpyrrol-2-yl)propan-1-one Formula: C24H32N2O7 MolecularWeight: 460.52008

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Descriptors Computed from Structure

Canonical SMILES:

CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CC=CN2C)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CC=CN2C)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H28N2O3.C4H4O4/c1-3-12-21-14-17(23)15-25-20-9-5-4-8-18(20)19(24)11-10-16-7-6-13-22(16)2;5-3(6)1-2-4(7)8/h4-9,13,17,21,23H,3,10-12,14-15H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+