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

Systemtic Name: bis(acetyloxymethyl) 3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutane-1,2-dicarboxylate Openeye Name: bis(acetoxymethyl) 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(acetyloxymethyl) ester IUPAC Name: bis(acetyloxymethyl) 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(acetoxymethyl) ester Formula: C46H50N2O12 MolecularWeight: 822.8954

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)C3C(C(C3C(=O)OCOC(=O)C)C(=O)OCOC(=O)C)C(=O)N(CCC)CC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CCCN(CC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)C3C(C(C3C(=O)OCOC(=O)C)C(=O)OCOC(=O)C)C(=O)N(CCC)CC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C46H50N2O12/c1-5-25-47(27-33-17-21-37(22-18-33)59-35-13-9-7-10-14-35)43(51)39-40(42(46(54)58-30-56-32(4)50)41(39)45(53)57-29-55-31(3)49)44(52)48(26-6-2)28-34-19-23-38(24-20-34)60-36-15-11-8-12-16-36/h7-24,39-42H,5-6,25-30H2,1-4H3