bis(butanoyloxymethyl) 3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutane-1,2-dicarboxylate

Systemtic Name: bis(butanoyloxymethyl) 3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutane-1,2-dicarboxylate Openeye Name: bis(butanoyloxymethyl) 3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutane-1,2-dicarboxylate CAS Name: 3,4-bis[oxo-[(4-phenoxyphenyl)methyl-propylamino]methyl]cyclobutane-1,2-dicarboxylic acid bis(1-oxobutoxymethyl) ester IUPAC Name: bis(butanoyloxymethyl) 3,4-bis[(4-phenoxyphenyl)methyl-propylcarbamoyl]cyclobutane-1,2-dicarboxylate Traditional Name: 3,4-bis[(4-phenoxybenzyl)-propyl-carbamoyl]cyclobutane-1,2-dicarboxylic acid bis(butyryloxymethyl) ester Formula: C50H58N2O12 MolecularWeight: 879.00172

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCOC(=O)C1C(C(C1C(=O)OCOC(=O)CCC)C(=O)N(CCC)CC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)N(CCC)CC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CCCC(=O)OCOC(=O)C1C(C(C1C(=O)OCOC(=O)CCC)C(=O)N(CCC)CC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)N(CCC)CC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C50H58N2O12/c1-5-15-41(53)59-33-61-49(57)45-43(47(55)51(29-7-3)31-35-21-25-39(26-22-35)63-37-17-11-9-12-18-37)44(46(45)50(58)62-34-60-42(54)16-6-2)48(56)52(30-8-4)32-36-23-27-40(28-24-36)64-38-19-13-10-14-20-38/h9-14,17-28,43-46H,5-8,15-16,29-34H2,1-4H3