2,4-bis[[3-(4-fluoranylphenoxy)phenyl]methyl-methyl-carbamoyl]cyclobutane-1,3-dicarboxylic acid

Systemtic Name: 2,4-bis[[3-(4-fluoranylphenoxy)phenyl]methyl-methyl-carbamoyl]cyclobutane-1,3-dicarboxylic acid Openeye Name: 2,4-bis[[3-(4-fluorophenoxy)phenyl]methyl-methyl-carbamoyl]cyclobutane-1,3-dicarboxylic acid CAS Name: 2,4-bis[[[3-(4-fluorophenoxy)phenyl]methyl-methylamino]-oxomethyl]cyclobutane-1,3-dicarboxylic acid IUPAC Name: 2,4-bis[[3-(4-fluorophenoxy)phenyl]methyl-methylcarbamoyl]cyclobutane-1,3-dicarboxylic acid Traditional Name: 2,4-bis[[3-(4-fluorophenoxy)benzyl]-methyl-carbamoyl]cyclobutane-1,3-dicarboxylic acid Formula: C36H32F2N2O8 MolecularWeight: 658.644686

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=CC=C1)OC2=CC=C(C=C2)F)C(=O)C3C(C(C3C(=O)O)C(=O)N(C)CC4=CC(=CC=C4)OC5=CC=C(C=C5)F)C(=O)O

Isomeric SMILES

CN(CC1=CC(=CC=C1)OC2=CC=C(C=C2)F)C(=O)C3C(C(C3C(=O)O)C(=O)N(C)CC4=CC(=CC=C4)OC5=CC=C(C=C5)F)C(=O)O

InChI

InChI=1S/C36H32F2N2O8/c1-39(19-21-5-3-7-27(17-21)47-25-13-9-23(37)10-14-25)33(41)29-31(35(43)44)30(32(29)36(45)46)34(42)40(2)20-22-6-4-8-28(18-22)48-26-15-11-24(38)12-16-26/h3-18,29-32H,19-20H2,1-2H3,(H,43,44)(H,45,46)