2-[2-(carboxymethyl)-3,4-bis[[phenoxy(phenyl)methyl]-propyl-carbamoyl]cyclobutyl]ethanoic acid

Systemtic Name: 2-[2-(carboxymethyl)-3,4-bis[[phenoxy(phenyl)methyl]-propyl-carbamoyl]cyclobutyl]ethanoic acid Openeye Name: 2-[2-(carboxymethyl)-3,4-bis[[phenoxy(phenyl)methyl]-propyl-carbamoyl]cyclobutyl]acetic acid CAS Name: 2-[2-(carboxymethyl)-3,4-bis[oxo-[[phenoxy(phenyl)methyl]-propylamino]methyl]cyclobutyl]acetic acid IUPAC Name: 2-[2-(carboxymethyl)-3,4-bis[[phenoxy(phenyl)methyl]-propylcarbamoyl]cyclobutyl]acetic acid Traditional Name: 2-[2-(carboxymethyl)-3,4-bis[[phenoxy(phenyl)methyl]-propyl-carbamoyl]cyclobutyl]acetic 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=C2)C(=O)C3C(C(C3C(=O)N(CCC)C(C4=CC=CC=C4)OC5=CC=CC=C5)CC(=O)O)CC(=O)O

Isomeric SMILES

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

InChI

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