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

Systemtic Name: 2,4-bis[(4-phenoxyphenyl)methyl-(phenylmethyl)carbamoyl]cyclobutane-1,3-dicarboxylate Openeye Name: 2,4-bis[benzyl-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,3-dicarboxylate CAS Name: 2,4-bis[oxo-[(4-phenoxyphenyl)methyl-(phenylmethyl)amino]methyl]cyclobutane-1,3-dicarboxylate IUPAC Name: 2,4-bis[benzyl-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,3-dicarboxylate Traditional Name: 2,4-bis[benzyl-(4-phenoxybenzyl)carbamoyl]cyclobutane-1,3-dicarboxylate Formula: C48H40N2O8-2 MolecularWeight: 772.8398

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)C4C(C(C4C(=O)[O-])C(=O)N(CC5=CC=CC=C5)CC6=CC=C(C=C6)OC7=CC=CC=C7)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)C4C(C(C4C(=O)[O-])C(=O)N(CC5=CC=CC=C5)CC6=CC=C(C=C6)OC7=CC=CC=C7)C(=O)[O-]

InChI

InChI=1S/C48H42N2O8/c51-45(49(29-33-13-5-1-6-14-33)31-35-21-25-39(26-22-35)57-37-17-9-3-10-18-37)41-43(47(53)54)42(44(41)48(55)56)46(52)50(30-34-15-7-2-8-16-34)32-36-23-27-40(28-24-36)58-38-19-11-4-12-20-38/h1-28,41-44H,29-32H2,(H,53,54)(H,55,56)/p-2