3,4-bis[1-(4-phenoxyphenyl)butyl-propyl-carbamoyl]cyclobutane-1,2-dicarboxylic acid

Systemtic Name: 3,4-bis[1-(4-phenoxyphenyl)butyl-propyl-carbamoyl]cyclobutane-1,2-dicarboxylic acid Openeye Name: 3,4-bis[1-(4-phenoxyphenyl)butyl-propyl-carbamoyl]cyclobutane-1,2-dicarboxylic acid CAS Name: 3,4-bis[oxo-[1-(4-phenoxyphenyl)butyl-propylamino]methyl]cyclobutane-1,2-dicarboxylic acid IUPAC Name: 3,4-bis[1-(4-phenoxyphenyl)butyl-propylcarbamoyl]cyclobutane-1,2-dicarboxylic acid Traditional Name: 3,4-bis[1-(4-phenoxyphenyl)butyl-propyl-carbamoyl]cyclobutane-1,2-dicarboxylic acid Formula: C46H54N2O8 MolecularWeight: 762.92956

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=C(C=C1)OC2=CC=CC=C2)N(CCC)C(=O)C3C(C(C3C(=O)O)C(=O)O)C(=O)N(CCC)C(CCC)C4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CCCC(C1=CC=C(C=C1)OC2=CC=CC=C2)N(CCC)C(=O)C3C(C(C3C(=O)O)C(=O)O)C(=O)N(CCC)C(CCC)C4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C46H54N2O8/c1-5-15-37(31-21-25-35(26-22-31)55-33-17-11-9-12-18-33)47(29-7-3)43(49)39-40(42(46(53)54)41(39)45(51)52)44(50)48(30-8-4)38(16-6-2)32-23-27-36(28-24-32)56-34-19-13-10-14-20-34/h9-14,17-28,37-42H,5-8,15-16,29-30H2,1-4H3,(H,51,52)(H,53,54)