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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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