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

Systemtic Name: 2-[2-(2-butoxy-2-oxidanylidene-ethyl)-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutyl]ethanoic acid Openeye Name: 2-[2-(2-butoxy-2-oxo-ethyl)-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutyl]acetic acid CAS Name: 2-[2-(2-butoxy-2-oxoethyl)-3,4-bis[oxo-[(4-phenoxyphenyl)methyl-propylamino]methyl]cyclobutyl]acetic acid IUPAC Name: 2-[2-(2-butoxy-2-oxoethyl)-3,4-bis[(4-phenoxyphenyl)methyl-propylcarbamoyl]cyclobutyl]acetic acid Traditional Name: 2-[2-(2-butoxy-2-keto-ethyl)-3,4-bis[(4-phenoxybenzyl)-propyl-carbamoyl]cyclobutyl]acetic acid Formula: C46H54N2O8 MolecularWeight: 762.92956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CC1C(C(C1C(=O)N(CCC)CC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)N(CCC)CC4=CC=C(C=C4)OC5=CC=CC=C5)CC(=O)O

Isomeric SMILES

CCCCOC(=O)CC1C(C(C1C(=O)N(CCC)CC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)N(CCC)CC4=CC=C(C=C4)OC5=CC=CC=C5)CC(=O)O

InChI

InChI=1S/C46H54N2O8/c1-4-7-28-54-42(51)30-40-39(29-41(49)50)43(45(52)47(26-5-2)31-33-18-22-37(23-19-33)55-35-14-10-8-11-15-35)44(40)46(53)48(27-6-3)32-34-20-24-38(25-21-34)56-36-16-12-9-13-17-36/h8-25,39-40,43-44H,4-7,26-32H2,1-3H3,(H,49,50)