methyl (E)-5-(4-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-en-4-ynoate

Systemtic Name: methyl (E)-5-(4-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-en-4-ynoate Openeye Name: methyl (E)-5-(4-bromophenyl)-2-(tert-butoxycarbonylamino)pent-2-en-4-ynoate CAS Name: (E)-5-(4-bromophenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pent-2-en-4-ynoic acid methyl ester IUPAC Name: methyl (E)-5-(4-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-en-4-ynoate Traditional Name: (E)-5-(4-bromophenyl)-2-(tert-butoxycarbonylamino)pent-2-en-4-ynoic acid methyl ester Formula: C17H18BrNO4 MolecularWeight: 380.23312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)OC(=O)N/C(=C/C#CC1=CC=C(C=C1)Br)/C(=O)OC

InChI

InChI=1S/C17H18BrNO4/c1-17(2,3)23-16(21)19-14(15(20)22-4)7-5-6-12-8-10-13(18)11-9-12/h7-11H,1-4H3,(H,19,21)/b14-7+