methyl (E,2S)-6-(4-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-hex-5-enoate

Systemtic Name: methyl (E,2S)-6-(4-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-hex-5-enoate Openeye Name: methyl (E,2S)-6-(4-bromophenyl)-2-(tert-butoxycarbonylamino)-4-oxo-hex-5-enoate CAS Name: (E,2S)-6-(4-bromophenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxo-5-hexenoic acid methyl ester IUPAC Name: methyl (E,2S)-6-(4-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxohex-5-enoate Traditional Name: (E,2S)-6-(4-bromophenyl)-2-(tert-butoxycarbonylamino)-4-keto-hex-5-enoic acid methyl ester Formula: C18H22BrNO5 MolecularWeight: 412.27498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC(=O)C=CC1=CC=C(C=C1)Br)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H22BrNO5/c1-18(2,3)25-17(23)20-15(16(22)24-4)11-14(21)10-7-12-5-8-13(19)9-6-12/h5-10,15H,11H2,1-4H3,(H,20,23)/b10-7+/t15-/m0/s1