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

Systemtic Name: bis(2-methylpropanoyloxymethyl) 3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutane-1,2-dicarboxylate Openeye Name: bis(2-methylpropanoyloxymethyl) 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-methyl-1-oxopropoxy)methyl] ester IUPAC Name: bis(2-methylpropanoyloxymethyl) 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(isobutyryloxymethyl) ester Formula: C50H58N2O12 MolecularWeight: 879.00172

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

InChI

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