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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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