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

Systemtic Name: 2,4-bis[[4-(2-methylphenoxy)phenyl]methyl-propyl-carbamoyl]cyclobutane-1,3-dicarboxylic acid Openeye Name: 2,4-bis[[4-(2-methylphenoxy)phenyl]methyl-propyl-carbamoyl]cyclobutane-1,3-dicarboxylic acid CAS Name: 2,4-bis[[[4-(2-methylphenoxy)phenyl]methyl-propylamino]-oxomethyl]cyclobutane-1,3-dicarboxylic acid IUPAC Name: 2,4-bis[[4-(2-methylphenoxy)phenyl]methyl-propylcarbamoyl]cyclobutane-1,3-dicarboxylic acid Traditional Name: 2,4-bis[[4-(2-methylphenoxy)benzyl]-propyl-carbamoyl]cyclobutane-1,3-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=CC=C2C)C(=O)C3C(C(C3C(=O)O)C(=O)N(CCC)CC4=CC=C(C=C4)OC5=CC=CC=C5C)C(=O)O

Isomeric SMILES

CCCN(CC1=CC=C(C=C1)OC2=CC=CC=C2C)C(=O)C3C(C(C3C(=O)O)C(=O)N(CCC)CC4=CC=C(C=C4)OC5=CC=CC=C5C)C(=O)O

InChI

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