2,4-bis[[4-(1,3-benzodioxol-5-yloxy)phenyl]methyl-propyl-carbamoyl]cyclobutane-1,3-dicarboxylic acid

Systemtic Name: 2,4-bis[[4-(1,3-benzodioxol-5-yloxy)phenyl]methyl-propyl-carbamoyl]cyclobutane-1,3-dicarboxylic acid Openeye Name: 2,4-bis[[4-(1,3-benzodioxol-5-yloxy)phenyl]methyl-propyl-carbamoyl]cyclobutane-1,3-dicarboxylic acid CAS Name: 2,4-bis[[[4-(1,3-benzodioxol-5-yloxy)phenyl]methyl-propylamino]-oxomethyl]cyclobutane-1,3-dicarboxylic acid IUPAC Name: 2,4-bis[[4-(1,3-benzodioxol-5-yloxy)phenyl]methyl-propylcarbamoyl]cyclobutane-1,3-dicarboxylic acid Traditional Name: 2,4-bis[[4-(1,3-benzodioxol-5-yloxy)benzyl]-propyl-carbamoyl]cyclobutane-1,3-dicarboxylic acid Formula: C42H42N2O12 MolecularWeight: 766.78908

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=C(C=C1)OC2=CC3=C(C=C2)OCO3)C(=O)C4C(C(C4C(=O)O)C(=O)N(CCC)CC5=CC=C(C=C5)OC6=CC7=C(C=C6)OCO7)C(=O)O

Isomeric SMILES

CCCN(CC1=CC=C(C=C1)OC2=CC3=C(C=C2)OCO3)C(=O)C4C(C(C4C(=O)O)C(=O)N(CCC)CC5=CC=C(C=C5)OC6=CC7=C(C=C6)OCO7)C(=O)O

InChI

InChI=1S/C42H42N2O12/c1-3-17-43(21-25-5-9-27(10-6-25)55-29-13-15-31-33(19-29)53-23-51-31)39(45)35-37(41(47)48)36(38(35)42(49)50)40(46)44(18-4-2)22-26-7-11-28(12-8-26)56-30-14-16-32-34(20-30)54-24-52-32/h5-16,19-20,35-38H,3-4,17-18,21-24H2,1-2H3,(H,47,48)(H,49,50)