methyl (E,2S,3S)-3-(4-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoate

Systemtic Name: methyl (E,2S,3S)-3-(4-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoate Openeye Name: methyl (E,2S,3S)-3-(4-bromophenyl)-2-(tert-butoxycarbonylamino)hex-4-enoate CAS Name: (E,2S,3S)-3-(4-bromophenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-hexenoic acid methyl ester IUPAC Name: methyl (E,2S,3S)-3-(4-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoate Traditional Name: (E,2S,3S)-3-(4-bromophenyl)-2-(tert-butoxycarbonylamino)hex-4-enoic acid methyl ester Formula: C18H24BrNO4 MolecularWeight: 398.29146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C=C/[C@@H](C1=CC=C(C=C1)Br)[C@@H](C(=O)OC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C18H24BrNO4/c1-6-7-14(12-8-10-13(19)11-9-12)15(16(21)23-5)20-17(22)24-18(2,3)4/h6-11,14-15H,1-5H3,(H,20,22)/b7-6+/t14-,15-/m0/s1