ditert-butyl 2,2-bis(fluoranyl)-4-(phenylmethoxycarbonylamino)pentanedioate

Systemtic Name: ditert-butyl 2,2-bis(fluoranyl)-4-(phenylmethoxycarbonylamino)pentanedioate Openeye Name: ditert-butyl 4-(benzyloxycarbonylamino)-2,2-difluoro-pentanedioate CAS Name: 2,2-difluoro-4-(phenylmethoxycarbonylamino)pentanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2,2-difluoro-4-(phenylmethoxycarbonylamino)pentanedioate Traditional Name: 4-(benzyloxycarbonylamino)-2,2-difluoro-glutaric acid ditert-butyl ester Formula: C21H29F2NO6 MolecularWeight: 429.454866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC(C(=O)OC(C)(C)C)(F)F)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)C(CC(C(=O)OC(C)(C)C)(F)F)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C21H29F2NO6/c1-19(2,3)29-16(25)15(12-21(22,23)17(26)30-20(4,5)6)24-18(27)28-13-14-10-8-7-9-11-14/h7-11,15H,12-13H2,1-6H3,(H,24,27)