methyl 2,3-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]-4-(trifluoromethylsulfonylamino)cyclobutane-1-carboxylate

Systemtic Name: methyl 2,3-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]-4-(trifluoromethylsulfonylamino)cyclobutane-1-carboxylate Openeye Name: methyl 2,3-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]-4-(trifluoromethylsulfonylamino)cyclobutanecarboxylate CAS Name: 2,3-bis[oxo-[(4-phenoxyphenyl)methyl-propylamino]methyl]-4-(trifluoromethylsulfonylamino)-1-cyclobutanecarboxylic acid methyl ester IUPAC Name: methyl 2,3-bis[(4-phenoxyphenyl)methyl-propylcarbamoyl]-4-(trifluoromethylsulfonylamino)cyclobutane-1-carboxylate Traditional Name: 2,3-bis[(4-phenoxybenzyl)-propyl-carbamoyl]-4-(triflylamino)cyclobutanecarboxylic acid methyl ester Formula: C41H44F3N3O8S MolecularWeight: 795.86357

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C41H44F3N3O8S/c1-4-24-46(26-28-16-20-32(21-17-28)54-30-12-8-6-9-13-30)38(48)34-35(37(36(34)40(50)53-3)45-56(51,52)41(42,43)44)39(49)47(25-5-2)27-29-18-22-33(23-19-29)55-31-14-10-7-11-15-31/h6-23,34-37,45H,4-5,24-27H2,1-3H3