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

Systemtic Name: bis(phenylmethyl) 3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutane-1,2-dicarboxylate Openeye Name: dibenzyl 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(phenylmethyl) ester IUPAC Name: dibenzyl 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 dibenzyl ester Formula: C54H54N2O8 MolecularWeight: 859.01516

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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)OCC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5)C(=O)N(CCC)CC6=CC=C(C=C6)OC7=CC=CC=C7

Isomeric SMILES

CCCN(CC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)C3C(C(C3C(=O)OCC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5)C(=O)N(CCC)CC6=CC=C(C=C6)OC7=CC=CC=C7

InChI

InChI=1S/C54H54N2O8/c1-3-33-55(35-39-25-29-45(30-26-39)63-43-21-13-7-14-22-43)51(57)47-48(52(58)56(34-4-2)36-40-27-31-46(32-28-40)64-44-23-15-8-16-24-44)50(54(60)62-38-42-19-11-6-12-20-42)49(47)53(59)61-37-41-17-9-5-10-18-41/h5-32,47-50H,3-4,33-38H2,1-2H3