(E)-but-2-enedioic acid; 7-[2-oxidanyl-3-(propylamino)propoxy]-2-phenyl-chromen-4-one

Systemtic Name: (E)-but-2-enedioic acid; 7-[2-oxidanyl-3-(propylamino)propoxy]-2-phenyl-chromen-4-one Openeye Name: fumaric acid; 7-[2-hydroxy-3-(propylamino)propoxy]-2-phenyl-chromen-4-one CAS Name: (E)-2-butenedioic acid; 7-[2-hydroxy-3-(propylamino)propoxy]-2-phenyl-1-benzopyran-4-one IUPAC Name: (E)-but-2-enedioic acid; 7-[2-hydroxy-3-(propylamino)propoxy]-2-phenylchromen-4-one Traditional Name: fumaric acid; 7-[2-hydroxy-3-(propylamino)propoxy]-2-phenyl-chromone Formula: C25H27NO8 MolecularWeight: 469.48378

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Descriptors Computed from Structure

Canonical SMILES:

CCCNCC(COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC=CC=C3)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCNCC(COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC=CC=C3)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H23NO4.C4H4O4/c1-2-10-22-13-16(23)14-25-17-8-9-18-19(24)12-20(26-21(18)11-17)15-6-4-3-5-7-15;5-3(6)1-2-4(7)8/h3-9,11-12,16,22-23H,2,10,13-14H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+