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

Systemtic Name: 3,4-bis[2-(4-phenoxyphenyl)ethanoyl-propyl-amino]cyclobutane-1,2-dicarboxylic acid Openeye Name: 3,4-bis[[2-(4-phenoxyphenyl)acetyl]-propyl-amino]cyclobutane-1,2-dicarboxylic acid CAS Name: 3,4-bis[[1-oxo-2-(4-phenoxyphenyl)ethyl]-propylamino]cyclobutane-1,2-dicarboxylic acid IUPAC Name: 3,4-bis[[2-(4-phenoxyphenyl)acetyl]-propylamino]cyclobutane-1,2-dicarboxylic acid Traditional Name: 3,4-bis[[2-(4-phenoxyphenyl)acetyl]-propyl-amino]cyclobutane-1,2-dicarboxylic acid Formula: C40H42N2O8 MolecularWeight: 678.77008

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1C(C(C1N(CCC)C(=O)CC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)O)C(=O)O)C(=O)CC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CCCN(C1C(C(C1N(CCC)C(=O)CC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)O)C(=O)O)C(=O)CC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

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