ethyl (E,4S,5R)-4-bromanyl-5-cyclohexyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate

Systemtic Name: ethyl (E,4S,5R)-4-bromanyl-5-cyclohexyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate Openeye Name: ethyl (E,4S,5R)-4-bromo-5-(tert-butoxycarbonylamino)-5-cyclohexyl-pent-2-enoate CAS Name: (E,4S,5R)-4-bromo-5-cyclohexyl-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-pentenoic acid ethyl ester IUPAC Name: ethyl (E,4S,5R)-4-bromo-5-cyclohexyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate Traditional Name: (E,4S,5R)-4-bromo-5-(tert-butoxycarbonylamino)-5-cyclohexyl-pent-2-enoic acid ethyl ester Formula: C18H30BrNO4 MolecularWeight: 404.3391

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(C(C1CCCCC1)NC(=O)OC(C)(C)C)Br

Isomeric SMILES

CCOC(=O)/C=C/[C@@H]([C@@H](C1CCCCC1)NC(=O)OC(C)(C)C)Br

InChI

InChI=1S/C18H30BrNO4/c1-5-23-15(21)12-11-14(19)16(13-9-7-6-8-10-13)20-17(22)24-18(2,3)4/h11-14,16H,5-10H2,1-4H3,(H,20,22)/b12-11+/t14-,16+/m0/s1