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

Systemtic Name: 2-[2-(carboxymethyl)-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutyl]ethanoic acid Openeye Name: 2-[2-(carboxymethyl)-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutyl]acetic acid CAS Name: 2-[2-(carboxymethyl)-3,4-bis[oxo-[(4-phenoxyphenyl)methyl-propylamino]methyl]cyclobutyl]acetic acid IUPAC Name: 2-[2-(carboxymethyl)-3,4-bis[(4-phenoxyphenyl)methyl-propylcarbamoyl]cyclobutyl]acetic acid Traditional Name: 2-[2-(carboxymethyl)-3,4-bis[(4-phenoxybenzyl)-propyl-carbamoyl]cyclobutyl]acetic 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(=O)C3C(C(C3C(=O)N(CCC)CC4=CC=C(C=C4)OC5=CC=CC=C5)CC(=O)O)CC(=O)O

Isomeric SMILES

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

InChI

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