3-[6-[13-[2-(2,3-dicarboxyphenyl)-5-methoxy-1-benzofuran-6-yl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-5-methoxy-1-benzofuran-2-yl]phthalic acid

Systemtic Name: 3-[6-[13-[2-(2,3-dicarboxyphenyl)-5-methoxy-1-benzofuran-6-yl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-5-methoxy-1-benzofuran-2-yl]phthalic acid Openeye Name: 3-[6-[13-[2-(2,3-dicarboxyphenyl)-5-methoxy-benzofuran-6-yl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-5-methoxy-benzofuran-2-yl]phthalic acid CAS Name: 3-[6-[13-[2-(2,3-dicarboxyphenyl)-5-methoxy-6-benzofuranyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-5-methoxy-2-benzofuranyl]phthalic acid IUPAC Name: 3-[6-[13-[2-(2,3-dicarboxyphenyl)-5-methoxy-1-benzofuran-6-yl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-5-methoxy-1-benzofuran-2-yl]phthalic acid Traditional Name: 3-[6-[13-[2-(2,3-dicarboxyphenyl)-5-methoxy-benzofuran-6-yl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-5-methoxy-benzofuran-2-yl]phthalic acid Formula: C44H42N2O15 MolecularWeight: 838.80868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(O2)C3=C(C(=CC=C3)C(=O)O)C(=O)O)N4CCOCCN(CCOCCOCC4)C5=C(C=C6C=C(OC6=C5)C7=C(C(=CC=C7)C(=O)O)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(O2)C3=C(C(=CC=C3)C(=O)O)C(=O)O)N4CCOCCN(CCOCCOCC4)C5=C(C=C6C=C(OC6=C5)C7=C(C(=CC=C7)C(=O)O)C(=O)O)OC

InChI

InChI=1S/C44H42N2O15/c1-55-37-21-25-19-35(27-5-3-7-29(41(47)48)39(27)43(51)52)60-33(25)23-31(37)45-9-13-57-14-10-46(12-16-59-18-17-58-15-11-45)32-24-34-26(22-38(32)56-2)20-36(61-34)28-6-4-8-30(42(49)50)40(28)44(53)54/h3-8,19-24H,9-18H2,1-2H3,(H,47,48)(H,49,50)(H,51,52)(H,53,54)