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

Systemtic Name: bis(2,2-dimethylpropanoyloxymethyl) 3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutane-1,2-dicarboxylate Openeye Name: bis(2,2-dimethylpropanoyloxymethyl) 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[(2,2-dimethyl-1-oxopropoxy)methyl] ester IUPAC Name: bis(2,2-dimethylpropanoyloxymethyl) 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(pivaloyloxymethyl) ester Formula: C52H62N2O12 MolecularWeight: 907.05488

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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)(C)C)C(=O)OCOC(=O)C(C)(C)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)(C)C)C(=O)OCOC(=O)C(C)(C)C)C(=O)N(CCC)CC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C52H62N2O12/c1-9-29-53(31-35-21-25-39(26-22-35)65-37-17-13-11-14-18-37)45(55)41-42(46(56)54(30-10-2)32-36-23-27-40(28-24-36)66-38-19-15-12-16-20-38)44(48(58)62-34-64-50(60)52(6,7)8)43(41)47(57)61-33-63-49(59)51(3,4)5/h11-28,41-44H,9-10,29-34H2,1-8H3