3,4-bis[(4-phenoxyphenyl)methyl-(4-phenylbutyl)carbamoyl]cyclobutane-1,2-dicarboxylic acid

Systemtic Name: 3,4-bis[(4-phenoxyphenyl)methyl-(4-phenylbutyl)carbamoyl]cyclobutane-1,2-dicarboxylic acid Openeye Name: 3,4-bis[(4-phenoxyphenyl)methyl-(4-phenylbutyl)carbamoyl]cyclobutane-1,2-dicarboxylic acid CAS Name: 3,4-bis[oxo-[(4-phenoxyphenyl)methyl-(4-phenylbutyl)amino]methyl]cyclobutane-1,2-dicarboxylic acid IUPAC Name: 3,4-bis[(4-phenoxyphenyl)methyl-(4-phenylbutyl)carbamoyl]cyclobutane-1,2-dicarboxylic acid Traditional Name: 3,4-bis[(4-phenoxybenzyl)-(4-phenylbutyl)carbamoyl]cyclobutane-1,2-dicarboxylic acid Formula: C54H54N2O8 MolecularWeight: 859.01516

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCN(CC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)C4C(C(C4C(=O)O)C(=O)O)C(=O)N(CCCCC5=CC=CC=C5)CC6=CC=C(C=C6)OC7=CC=CC=C7

Isomeric SMILES

C1=CC=C(C=C1)CCCCN(CC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)C4C(C(C4C(=O)O)C(=O)O)C(=O)N(CCCCC5=CC=CC=C5)CC6=CC=C(C=C6)OC7=CC=CC=C7

InChI

InChI=1S/C54H54N2O8/c57-51(55(35-15-13-21-39-17-5-1-6-18-39)37-41-27-31-45(32-28-41)63-43-23-9-3-10-24-43)47-48(50(54(61)62)49(47)53(59)60)52(58)56(36-16-14-22-40-19-7-2-8-20-40)38-42-29-33-46(34-30-42)64-44-25-11-4-12-26-44/h1-12,17-20,23-34,47-50H,13-16,21-22,35-38H2,(H,59,60)(H,61,62)