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

Systemtic Name: 3,4-bis[1-(4-phenoxyphenyl)butylcarbamoyl]cyclobutane-1,2-dicarboxylic acid Openeye Name: 3,4-bis[1-(4-phenoxyphenyl)butylcarbamoyl]cyclobutane-1,2-dicarboxylic acid CAS Name: 3,4-bis[oxo-[1-(4-phenoxyphenyl)butylamino]methyl]cyclobutane-1,2-dicarboxylic acid IUPAC Name: 3,4-bis[1-(4-phenoxyphenyl)butylcarbamoyl]cyclobutane-1,2-dicarboxylic acid Traditional Name: 3,4-bis[1-(4-phenoxyphenyl)butylcarbamoyl]cyclobutane-1,2-dicarboxylic acid Formula: C40H42N2O8 MolecularWeight: 678.77008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C40H42N2O8/c1-3-11-31(25-17-21-29(22-18-25)49-27-13-7-5-8-14-27)41-37(43)33-34(36(40(47)48)35(33)39(45)46)38(44)42-32(12-4-2)26-19-23-30(24-20-26)50-28-15-9-6-10-16-28/h5-10,13-24,31-36H,3-4,11-12H2,1-2H3,(H,41,43)(H,42,44)(H,45,46)(H,47,48)