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

Systemtic Name: 2,3-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]-4-(trifluoromethylsulfonylamino)cyclobutane-1-carboxylic acid Openeye Name: 2,3-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]-4-(trifluoromethylsulfonylamino)cyclobutanecarboxylic acid CAS Name: 2,3-bis[oxo-[(4-phenoxyphenyl)methyl-propylamino]methyl]-4-(trifluoromethylsulfonylamino)-1-cyclobutanecarboxylic acid IUPAC Name: 2,3-bis[(4-phenoxyphenyl)methyl-propylcarbamoyl]-4-(trifluoromethylsulfonylamino)cyclobutane-1-carboxylic acid Traditional Name: 2,3-bis[(4-phenoxybenzyl)-propyl-carbamoyl]-4-(triflylamino)cyclobutanecarboxylic acid Formula: C40H42F3N3O8S MolecularWeight: 781.83699

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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)O)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)O)NS(=O)(=O)C(F)(F)F)C(=O)N(CCC)CC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C40H42F3N3O8S/c1-3-23-45(25-27-15-19-31(20-16-27)53-29-11-7-5-8-12-29)37(47)33-34(36(35(33)39(49)50)44-55(51,52)40(41,42)43)38(48)46(24-4-2)26-28-17-21-32(22-18-28)54-30-13-9-6-10-14-30/h5-22,33-36,44H,3-4,23-26H2,1-2H3,(H,49,50)