(E)-but-2-enedioic acid; 7-[2-oxidanyl-3-(propan-2-ylamino)propoxy]-2,3-dihydrochromen-4-one

Systemtic Name: (E)-but-2-enedioic acid; 7-[2-oxidanyl-3-(propan-2-ylamino)propoxy]-2,3-dihydrochromen-4-one Openeye Name: fumaric acid; 7-[2-hydroxy-3-(isopropylamino)propoxy]chroman-4-one CAS Name: (E)-2-butenedioic acid; 7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: (E)-but-2-enedioic acid; 7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2,3-dihydrochromen-4-one Traditional Name: fumaric acid; 7-[2-hydroxy-3-(isopropylamino)propoxy]chroman-4-one Formula: C19H25NO8 MolecularWeight: 395.4037

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COC1=CC2=C(C=C1)C(=O)CCO2)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)NCC(COC1=CC2=C(C=C1)C(=O)CCO2)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H21NO4.C4H4O4/c1-10(2)16-8-11(17)9-20-12-3-4-13-14(18)5-6-19-15(13)7-12;5-3(6)1-2-4(7)8/h3-4,7,10-11,16-17H,5-6,8-9H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+