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

Systemtic Name: 3,4-bis[[4-(4-methylphenoxy)phenyl]methyl-propyl-carbamoyl]cyclobutane-1,2-dicarboxylic acid Openeye Name: 3,4-bis[[4-(4-methylphenoxy)phenyl]methyl-propyl-carbamoyl]cyclobutane-1,2-dicarboxylic acid CAS Name: 3,4-bis[[[4-(4-methylphenoxy)phenyl]methyl-propylamino]-oxomethyl]cyclobutane-1,2-dicarboxylic acid IUPAC Name: 3,4-bis[[4-(4-methylphenoxy)phenyl]methyl-propylcarbamoyl]cyclobutane-1,2-dicarboxylic acid Traditional Name: 3,4-bis[[4-(4-methylphenoxy)benzyl]-propyl-carbamoyl]cyclobutane-1,2-dicarboxylic acid Formula: C42H46N2O8 MolecularWeight: 706.82324

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=C(C=C1)OC2=CC=C(C=C2)C)C(=O)C3C(C(C3C(=O)O)C(=O)O)C(=O)N(CCC)CC4=CC=C(C=C4)OC5=CC=C(C=C5)C

Isomeric SMILES

CCCN(CC1=CC=C(C=C1)OC2=CC=C(C=C2)C)C(=O)C3C(C(C3C(=O)O)C(=O)O)C(=O)N(CCC)CC4=CC=C(C=C4)OC5=CC=C(C=C5)C

InChI

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