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

Systemtic Name: 2,4-bis[phenethyl-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,3-dicarboxylic acid Openeye Name: 2,4-bis[phenethyl-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,3-dicarboxylic acid CAS Name: 2,4-bis[oxo-[phenethyl-[(4-phenoxyphenyl)methyl]amino]methyl]cyclobutane-1,3-dicarboxylic acid IUPAC Name: 2,4-bis[phenethyl-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,3-dicarboxylic acid Traditional Name: 2,4-bis[phenethyl-(4-phenoxybenzyl)carbamoyl]cyclobutane-1,3-dicarboxylic acid Formula: C50H46N2O8 MolecularWeight: 802.90884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)C4C(C(C4C(=O)O)C(=O)N(CCC5=CC=CC=C5)CC6=CC=C(C=C6)OC7=CC=CC=C7)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCN(CC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)C4C(C(C4C(=O)O)C(=O)N(CCC5=CC=CC=C5)CC6=CC=C(C=C6)OC7=CC=CC=C7)C(=O)O

InChI

InChI=1S/C50H46N2O8/c53-47(51(31-29-35-13-5-1-6-14-35)33-37-21-25-41(26-22-37)59-39-17-9-3-10-18-39)43-45(49(55)56)44(46(43)50(57)58)48(54)52(32-30-36-15-7-2-8-16-36)34-38-23-27-42(28-24-38)60-40-19-11-4-12-20-40/h1-28,43-46H,29-34H2,(H,55,56)(H,57,58)