methyl 2-[bromanyl-bis(fluoranyl)methyl]-4-methyl-2-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: methyl 2-[bromanyl-bis(fluoranyl)methyl]-4-methyl-2-(phenylmethoxycarbonylamino)pentanoate Openeye Name: methyl 2-(benzyloxycarbonylamino)-2-[bromo(difluoro)methyl]-4-methyl-pentanoate CAS Name: 2-[bromo(difluoro)methyl]-4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid methyl ester IUPAC Name: methyl 2-[bromo(difluoro)methyl]-4-methyl-2-(phenylmethoxycarbonylamino)pentanoate Traditional Name: 2-(benzyloxycarbonylamino)-2-[bromo(difluoro)methyl]-4-methyl-valeric acid methyl ester Formula: C16H20BrF2NO4 MolecularWeight: 408.235106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20BrF2NO4/c1-11(2)9-15(13(21)23-3,16(17,18)19)20-14(22)24-10-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,20,22)