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

Systemtic Name: 3,4-bis[methyl-[(4-phenoxyphenyl)methylcarbamoyl]amino]cyclobutane-1,2-dicarboxylic acid Openeye Name: 3,4-bis[methyl-[(4-phenoxyphenyl)methylcarbamoyl]amino]cyclobutane-1,2-dicarboxylic acid CAS Name: 3,4-bis[methyl-[oxo-[(4-phenoxyphenyl)methylamino]methyl]amino]cyclobutane-1,2-dicarboxylic acid IUPAC Name: 3,4-bis[methyl-[(4-phenoxyphenyl)methylcarbamoyl]amino]cyclobutane-1,2-dicarboxylic acid Traditional Name: 3,4-bis[methyl-[(4-phenoxybenzyl)carbamoyl]amino]cyclobutane-1,2-dicarboxylic acid Formula: C36H36N4O8 MolecularWeight: 652.69304

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1C(C(C1N(C)C(=O)NCC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)O)C(=O)O)C(=O)NCC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CN(C1C(C(C1N(C)C(=O)NCC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)O)C(=O)O)C(=O)NCC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C36H36N4O8/c1-39(35(45)37-21-23-13-17-27(18-14-23)47-25-9-5-3-6-10-25)31-29(33(41)42)30(34(43)44)32(31)40(2)36(46)38-22-24-15-19-28(20-16-24)48-26-11-7-4-8-12-26/h3-20,29-32H,21-22H2,1-2H3,(H,37,45)(H,38,46)(H,41,42)(H,43,44)