(E)-but-2-enedioic acid; 6-[2-oxidanyl-3-(phenethylamino)propoxy]-2-phenyl-chromen-4-one

Systemtic Name: (E)-but-2-enedioic acid; 6-[2-oxidanyl-3-(phenethylamino)propoxy]-2-phenyl-chromen-4-one Openeye Name: fumaric acid; 6-[2-hydroxy-3-(phenethylamino)propoxy]-2-phenyl-chromen-4-one CAS Name: (E)-2-butenedioic acid; 6-[2-hydroxy-3-(phenethylamino)propoxy]-2-phenyl-1-benzopyran-4-one IUPAC Name: (E)-but-2-enedioic acid; 6-[2-hydroxy-3-(phenethylamino)propoxy]-2-phenylchromen-4-one Traditional Name: fumaric acid; 6-[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=CC3=C(C=C2)OC(=CC3=O)C4=CC=CC=C4)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCNCC(COC2=CC3=C(C=C2)OC(=CC3=O)C4=CC=CC=C4)O.C(=C/C(=O)O)\C(=O)O

InChI

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