(E)-but-2-enedioic acid; 8-[2-oxidanyl-3-(phenethylamino)propoxy]-2-phenyl-chromen-4-one

Systemtic Name: (E)-but-2-enedioic acid; 8-[2-oxidanyl-3-(phenethylamino)propoxy]-2-phenyl-chromen-4-one Openeye Name: fumaric acid; 8-[2-hydroxy-3-(phenethylamino)propoxy]-2-phenyl-chromen-4-one CAS Name: (E)-2-butenedioic acid; 8-[2-hydroxy-3-(phenethylamino)propoxy]-2-phenyl-1-benzopyran-4-one IUPAC Name: (E)-but-2-enedioic acid; 8-[2-hydroxy-3-(phenethylamino)propoxy]-2-phenylchromen-4-one Traditional Name: fumaric acid; 8-[2-hydroxy-3-(phenethylamino)propoxy]-2-phenyl-chromone Formula: C30H29NO8 MolecularWeight: 531.55316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNCC(COC2=CC=CC3=C2OC(=CC3=O)C4=CC=CC=C4)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCNCC(COC2=CC=CC3=C2OC(=CC3=O)C4=CC=CC=C4)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C26H25NO4.C4H4O4/c28-21(17-27-15-14-19-8-3-1-4-9-19)18-30-24-13-7-12-22-23(29)16-25(31-26(22)24)20-10-5-2-6-11-20;5-3(6)1-2-4(7)8/h1-13,16,21,27-28H,14-15,17-18H2;1-2H,(H,5,6)(H,7,8)/b;2-1+