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

Systemtic Name: 3,4-bis[(4-phenoxyphenyl)methyl-(phenylmethyl)carbamoyl]cyclobutane-1,2-dicarboxylic acid Openeye Name: 3,4-bis[benzyl-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,2-dicarboxylic acid CAS Name: 3,4-bis[oxo-[(4-phenoxyphenyl)methyl-(phenylmethyl)amino]methyl]cyclobutane-1,2-dicarboxylic acid IUPAC Name: 3,4-bis[benzyl-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,2-dicarboxylic acid Traditional Name: 3,4-bis[benzyl-(4-phenoxybenzyl)carbamoyl]cyclobutane-1,2-dicarboxylic acid Formula: C48H42N2O8 MolecularWeight: 774.85568

Click to see the large picture

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)O)C(=O)N(CC5=CC=CC=C5)CC6=CC=C(C=C6)OC7=CC=CC=C7

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)O)C(=O)N(CC5=CC=CC=C5)CC6=CC=C(C=C6)OC7=CC=CC=C7

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)41-42(44(48(55)56)43(41)47(53)54)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)