(E)-but-2-enedioic acid; 7-[2-oxidanyl-3-(8-phenyloctylamino)propoxy]-2-phenyl-chromen-4-one

Systemtic Name: (E)-but-2-enedioic acid; 7-[2-oxidanyl-3-(8-phenyloctylamino)propoxy]-2-phenyl-chromen-4-one Openeye Name: fumaric acid; 7-[2-hydroxy-3-(8-phenyloctylamino)propoxy]-2-phenyl-chromen-4-one CAS Name: (E)-2-butenedioic acid; 7-[2-hydroxy-3-(8-phenyloctylamino)propoxy]-2-phenyl-1-benzopyran-4-one IUPAC Name: (E)-but-2-enedioic acid; 7-[2-hydroxy-3-(8-phenyloctylamino)propoxy]-2-phenylchromen-4-one Traditional Name: fumaric acid; 7-[2-hydroxy-3-(8-phenyloctylamino)propoxy]-2-phenyl-chromone Formula: C36H41NO8 MolecularWeight: 615.71264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCCCNCC(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)CCCCCCCCNCC(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/C32H37NO4.C4H4O4/c34-27(23-33-20-12-4-2-1-3-7-13-25-14-8-5-9-15-25)24-36-28-18-19-29-30(35)22-31(37-32(29)21-28)26-16-10-6-11-17-26;5-3(6)1-2-4(7)8/h5-6,8-11,14-19,21-22,27,33-34H,1-4,7,12-13,20,23-24H2;1-2H,(H,5,6)(H,7,8)/b;2-1+