(E)-but-2-enedioic acid; 3-(4-oxidanylpentoxy)-5-(phenethylamino)-2-phenyl-chromen-4-one

Systemtic Name: (E)-but-2-enedioic acid; 3-(4-oxidanylpentoxy)-5-(phenethylamino)-2-phenyl-chromen-4-one Openeye Name: fumaric acid; 3-(4-hydroxypentoxy)-5-(phenethylamino)-2-phenyl-chromen-4-one CAS Name: (E)-2-butenedioic acid; 3-(4-hydroxypentoxy)-5-(phenethylamino)-2-phenyl-1-benzopyran-4-one IUPAC Name: (E)-but-2-enedioic acid; 3-(4-hydroxypentoxy)-5-(phenethylamino)-2-phenylchromen-4-one Traditional Name: fumaric acid; 3-(4-hydroxypentoxy)-5-(phenethylamino)-2-phenyl-chromone Formula: C32H33NO8 MolecularWeight: 559.60632

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCOC1=C(OC2=CC=CC(=C2C1=O)NCCC3=CC=CC=C3)C4=CC=CC=C4)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(CCCOC1=C(OC2=CC=CC(=C2C1=O)NCCC3=CC=CC=C3)C4=CC=CC=C4)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C28H29NO4.C4H4O4/c1-20(30)10-9-19-32-28-26(31)25-23(29-18-17-21-11-4-2-5-12-21)15-8-16-24(25)33-27(28)22-13-6-3-7-14-22;5-3(6)1-2-4(7)8/h2-8,11-16,20,29-30H,9-10,17-19H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+