3,4-bis[[phenoxy(phenyl)methyl]-propyl-carbamoyl]cyclobutane-1,2-dicarboxylic acid

Systemtic Name: 3,4-bis[[phenoxy(phenyl)methyl]-propyl-carbamoyl]cyclobutane-1,2-dicarboxylic acid Openeye Name: 3,4-bis[[phenoxy(phenyl)methyl]-propyl-carbamoyl]cyclobutane-1,2-dicarboxylic acid CAS Name: 3,4-bis[oxo-[[phenoxy(phenyl)methyl]-propylamino]methyl]cyclobutane-1,2-dicarboxylic acid IUPAC Name: 3,4-bis[[phenoxy(phenyl)methyl]-propylcarbamoyl]cyclobutane-1,2-dicarboxylic acid Traditional Name: 3,4-bis[[phenoxy(phenyl)methyl]-propyl-carbamoyl]cyclobutane-1,2-dicarboxylic acid Formula: C40H42N2O8 MolecularWeight: 678.77008

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C(C1=CC=CC=C1)OC2=CC=CC=C2)C(=O)C3C(C(C3C(=O)O)C(=O)O)C(=O)N(CCC)C(C4=CC=CC=C4)OC5=CC=CC=C5

Isomeric SMILES

CCCN(C(C1=CC=CC=C1)OC2=CC=CC=C2)C(=O)C3C(C(C3C(=O)O)C(=O)O)C(=O)N(CCC)C(C4=CC=CC=C4)OC5=CC=CC=C5

InChI

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