(Z)-1-[6-[2-(azepan-1-yl)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-(3-hydroxyphenyl)prop-2-en-1-one; (E)-but-2-enedioic acid

Systemtic Name: (Z)-1-[6-[2-(azepan-1-yl)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-(3-hydroxyphenyl)prop-2-en-1-one; (E)-but-2-enedioic acid Openeye Name: (Z)-1-[6-[2-(azepan-1-yl)ethoxy]-4,7-dimethoxy-benzofuran-5-yl]-3-(3-hydroxyphenyl)prop-2-en-1-one; fumaric acid CAS Name: (Z)-1-[6-[2-(1-azepanyl)ethoxy]-4,7-dimethoxy-5-benzofuranyl]-3-(3-hydroxyphenyl)-2-propen-1-one; (E)-2-butenedioic acid IUPAC Name: (Z)-1-[6-[2-(azepan-1-yl)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-(3-hydroxyphenyl)prop-2-en-1-one; (E)-but-2-enedioic acid Traditional Name: (Z)-1-[6-[2-(azepan-1-yl)ethoxy]-4,7-dimethoxy-benzofuran-5-yl]-3-(3-hydroxyphenyl)prop-2-en-1-one; fumaric acid Formula: C31H35NO10 MolecularWeight: 581.6103

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C2=C1C=CO2)OC)OCCN3CCCCCC3)C(=O)C=CC4=CC(=CC=C4)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

COC1=C(C(=C(C2=C1C=CO2)OC)OCCN3CCCCCC3)C(=O)/C=C\C4=CC(=CC=C4)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C27H31NO6.C4H4O4/c1-31-24-21-12-16-33-25(21)27(32-2)26(34-17-15-28-13-5-3-4-6-14-28)23(24)22(30)11-10-19-8-7-9-20(29)18-19;5-3(6)1-2-4(7)8/h7-12,16,18,29H,3-6,13-15,17H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b11-10-;2-1+