3,4-bis[2-(4-phenoxyphenyl)pentan-2-ylcarbamoyl]cyclobutane-1,2-dicarboxylic acid

Systemtic Name: 3,4-bis[2-(4-phenoxyphenyl)pentan-2-ylcarbamoyl]cyclobutane-1,2-dicarboxylic acid Openeye Name: 3,4-bis[[1-methyl-1-(4-phenoxyphenyl)butyl]carbamoyl]cyclobutane-1,2-dicarboxylic acid CAS Name: 3,4-bis[oxo-[2-(4-phenoxyphenyl)pentan-2-ylamino]methyl]cyclobutane-1,2-dicarboxylic acid IUPAC Name: 3,4-bis[2-(4-phenoxyphenyl)pentan-2-ylcarbamoyl]cyclobutane-1,2-dicarboxylic acid Traditional Name: 3,4-bis[[1-methyl-1-(4-phenoxyphenyl)butyl]carbamoyl]cyclobutane-1,2-dicarboxylic acid Formula: C42H46N2O8 MolecularWeight: 706.82324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C1=CC=C(C=C1)OC2=CC=CC=C2)NC(=O)C3C(C(C3C(=O)O)C(=O)O)C(=O)NC(C)(CCC)C4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CCCC(C)(C1=CC=C(C=C1)OC2=CC=CC=C2)NC(=O)C3C(C(C3C(=O)O)C(=O)O)C(=O)NC(C)(CCC)C4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C42H46N2O8/c1-5-25-41(3,27-17-21-31(22-18-27)51-29-13-9-7-10-14-29)43-37(45)33-34(36(40(49)50)35(33)39(47)48)38(46)44-42(4,26-6-2)28-19-23-32(24-20-28)52-30-15-11-8-12-16-30/h7-24,33-36H,5-6,25-26H2,1-4H3,(H,43,45)(H,44,46)(H,47,48)(H,49,50)