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

Systemtic Name: (E)-but-2-enedioic acid; 8-[3-(phenethylamino)propoxy]-2-phenyl-chromen-4-one Openeye Name: fumaric acid; 8-[3-(phenethylamino)propoxy]-2-phenyl-chromen-4-one CAS Name: (E)-2-butenedioic acid; 8-[3-(phenethylamino)propoxy]-2-phenyl-1-benzopyran-4-one IUPAC Name: (E)-but-2-enedioic acid; 8-[3-(phenethylamino)propoxy]-2-phenylchromen-4-one Traditional Name: fumaric acid; 8-[3-(phenethylamino)propoxy]-2-phenyl-chromone Formula: C30H29NO7 MolecularWeight: 515.55376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNCCCOC2=CC=CC3=C2OC(=CC3=O)C4=CC=CC=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCNCCCOC2=CC=CC3=C2OC(=CC3=O)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C26H25NO3.C4H4O4/c28-23-19-25(21-11-5-2-6-12-21)30-26-22(23)13-7-14-24(26)29-18-8-16-27-17-15-20-9-3-1-4-10-20;5-3(6)1-2-4(7)8/h1-7,9-14,19,27H,8,15-18H2;1-2H,(H,5,6)(H,7,8)/b;2-1+