(E)-but-2-enedioic acid; 7-[2-oxidanyl-5-(phenethylamino)pentoxy]-2-phenyl-chromen-4-one

Systemtic Name: (E)-but-2-enedioic acid; 7-[2-oxidanyl-5-(phenethylamino)pentoxy]-2-phenyl-chromen-4-one Openeye Name: fumaric acid; 7-[2-hydroxy-5-(phenethylamino)pentoxy]-2-phenyl-chromen-4-one CAS Name: (E)-2-butenedioic acid; 7-[2-hydroxy-5-(phenethylamino)pentoxy]-2-phenyl-1-benzopyran-4-one IUPAC Name: (E)-but-2-enedioic acid; 7-[2-hydroxy-5-(phenethylamino)pentoxy]-2-phenylchromen-4-one Traditional Name: fumaric acid; 7-[2-hydroxy-5-(phenethylamino)pentoxy]-2-phenyl-chromone Formula: C32H33NO8 MolecularWeight: 559.60632

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNCCCC(COC2=CC3=C(C=C2)C(=O)C=C(O3)C4=CC=CC=C4)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCNCCCC(COC2=CC3=C(C=C2)C(=O)C=C(O3)C4=CC=CC=C4)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C28H29NO4.C4H4O4/c30-23(12-7-16-29-17-15-21-8-3-1-4-9-21)20-32-24-13-14-25-26(31)19-27(33-28(25)18-24)22-10-5-2-6-11-22;5-3(6)1-2-4(7)8/h1-6,8-11,13-14,18-19,23,29-30H,7,12,15-17,20H2;1-2H,(H,5,6)(H,7,8)/b;2-1+