4-aminocarbonyl-6-[6-[4-[1-(4-dimethylaminophenyl)-3-oxidanylidene-2-benzofuran-1-yl]phenoxy]hexoxycarbonyl]-2-methyl-octanoic acid

Systemtic Name: 4-aminocarbonyl-6-[6-[4-[1-(4-dimethylaminophenyl)-3-oxidanylidene-2-benzofuran-1-yl]phenoxy]hexoxycarbonyl]-2-methyl-octanoic acid Openeye Name: 4-carbamoyl-6-[6-[4-[1-(4-dimethylaminophenyl)-3-oxo-isobenzofuran-1-yl]phenoxy]hexoxycarbonyl]-2-methyl-octanoic acid CAS Name: 4-carbamoyl-6-[6-[4-[1-(4-dimethylaminophenyl)-3-oxo-1-isobenzofuranyl]phenoxy]hexoxy-oxomethyl]-2-methyloctanoic acid IUPAC Name: 4-carbamoyl-6-[6-[4-[1-(4-dimethylaminophenyl)-3-oxo-2-benzofuran-1-yl]phenoxy]hexoxycarbonyl]-2-methyloctanoic acid Traditional Name: 4-carbamoyl-6-[6-[4-[1-(4-dimethylaminophenyl)-3-keto-phthalan-1-yl]phenoxy]hexoxycarbonyl]-2-methyl-caprylic acid Formula: C39H48N2O8 MolecularWeight: 672.80702

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(CC(C)C(=O)O)C(=O)N)C(=O)OCCCCCCOC1=CC=C(C=C1)C2(C3=CC=CC=C3C(=O)O2)C4=CC=C(C=C4)N(C)C

Isomeric SMILES

CCC(CC(CC(C)C(=O)O)C(=O)N)C(=O)OCCCCCCOC1=CC=C(C=C1)C2(C3=CC=CC=C3C(=O)O2)C4=CC=C(C=C4)N(C)C

InChI

InChI=1S/C39H48N2O8/c1-5-27(25-28(35(40)42)24-26(2)36(43)44)37(45)48-23-11-7-6-10-22-47-32-20-16-30(17-21-32)39(29-14-18-31(19-15-29)41(3)4)34-13-9-8-12-33(34)38(46)49-39/h8-9,12-21,26-28H,5-7,10-11,22-25H2,1-4H3,(H2,40,42)(H,43,44)