methyl (E,2S)-7-chloranyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hept-5-enoate

Systemtic Name: methyl (E,2S)-7-chloranyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hept-5-enoate Openeye Name: methyl (E,2S)-2-(tert-butoxycarbonylamino)-7-chloro-hept-5-enoate CAS Name: (E,2S)-7-chloro-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-heptenoic acid methyl ester IUPAC Name: methyl (E,2S)-7-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]hept-5-enoate Traditional Name: (E,2S)-2-(tert-butoxycarbonylamino)-7-chloro-hept-5-enoic acid methyl ester Formula: C13H22ClNO4 MolecularWeight: 291.77108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCC=CCCl)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC/C=C/CCl)C(=O)OC

InChI

InChI=1S/C13H22ClNO4/c1-13(2,3)19-12(17)15-10(11(16)18-4)8-6-5-7-9-14/h5,7,10H,6,8-9H2,1-4H3,(H,15,17)/b7-5+/t10-/m0/s1