ethyl (E,4S,5R)-4-bromanyl-6,6-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hept-2-enoate

Systemtic Name: ethyl (E,4S,5R)-4-bromanyl-6,6-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hept-2-enoate Openeye Name: ethyl (E,4S,5R)-4-bromo-5-(tert-butoxycarbonylamino)-6,6-dimethyl-hept-2-enoate CAS Name: (E,4S,5R)-4-bromo-6,6-dimethyl-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-heptenoic acid ethyl ester IUPAC Name: ethyl (E,4S,5R)-4-bromo-6,6-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hept-2-enoate Traditional Name: (E,4S,5R)-4-bromo-5-(tert-butoxycarbonylamino)-6,6-dimethyl-hept-2-enoic acid ethyl ester Formula: C16H28BrNO4 MolecularWeight: 378.30182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(C(C(C)(C)C)NC(=O)OC(C)(C)C)Br

Isomeric SMILES

CCOC(=O)/C=C/[C@@H]([C@@H](C(C)(C)C)NC(=O)OC(C)(C)C)Br

InChI

InChI=1S/C16H28BrNO4/c1-8-21-12(19)10-9-11(17)13(15(2,3)4)18-14(20)22-16(5,6)7/h9-11,13H,8H2,1-7H3,(H,18,20)/b10-9+/t11-,13-/m0/s1