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

Systemtic Name: 3,4-bis[(3-methyl-4-phenoxy-phenyl)methyl-propyl-carbamoyl]cyclobutane-1,2-dicarboxylic acid Openeye Name: 3,4-bis[(3-methyl-4-phenoxy-phenyl)methyl-propyl-carbamoyl]cyclobutane-1,2-dicarboxylic acid CAS Name: 3,4-bis[[(3-methyl-4-phenoxyphenyl)methyl-propylamino]-oxomethyl]cyclobutane-1,2-dicarboxylic acid IUPAC Name: 3,4-bis[(3-methyl-4-phenoxyphenyl)methyl-propylcarbamoyl]cyclobutane-1,2-dicarboxylic acid Traditional Name: 3,4-bis[(3-methyl-4-phenoxy-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=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(25-29-17-19-33(27(3)23-29)51-31-13-9-7-10-14-31)39(45)35-36(38(42(49)50)37(35)41(47)48)40(46)44(22-6-2)26-30-18-20-34(28(4)24-30)52-32-15-11-8-12-16-32/h7-20,23-24,35-38H,5-6,21-22,25-26H2,1-4H3,(H,47,48)(H,49,50)