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

Systemtic Name: 2,4-bis[[4-(phenoxymethyl)phenyl]methyl-propyl-carbamoyl]cyclobutane-1,3-dicarboxylic acid Openeye Name: 2,4-bis[[4-(phenoxymethyl)phenyl]methyl-propyl-carbamoyl]cyclobutane-1,3-dicarboxylic acid CAS Name: 2,4-bis[oxo-[[4-(phenoxymethyl)phenyl]methyl-propylamino]methyl]cyclobutane-1,3-dicarboxylic acid IUPAC Name: 2,4-bis[[4-(phenoxymethyl)phenyl]methyl-propylcarbamoyl]cyclobutane-1,3-dicarboxylic acid Traditional Name: 2,4-bis[[4-(phenoxymethyl)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)COC2=CC=CC=C2)C(=O)C3C(C(C3C(=O)O)C(=O)N(CCC)CC4=CC=C(C=C4)COC5=CC=CC=C5)C(=O)O

Isomeric SMILES

CCCN(CC1=CC=C(C=C1)COC2=CC=CC=C2)C(=O)C3C(C(C3C(=O)O)C(=O)N(CCC)CC4=CC=C(C=C4)COC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C42H46N2O8/c1-3-23-43(25-29-15-19-31(20-16-29)27-51-33-11-7-5-8-12-33)39(45)35-37(41(47)48)36(38(35)42(49)50)40(46)44(24-4-2)26-30-17-21-32(22-18-30)28-52-34-13-9-6-10-14-34/h5-22,35-38H,3-4,23-28H2,1-2H3,(H,47,48)(H,49,50)