methyl (E)-3-bromanyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoylamino]-3-phenyl-prop-2-enoate

Systemtic Name: methyl (E)-3-bromanyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoylamino]-3-phenyl-prop-2-enoate Openeye Name: methyl (E)-3-bromo-2-[[2-(tert-butoxycarbonylamino)acetyl]amino]-3-phenyl-prop-2-enoate CAS Name: (E)-3-bromo-2-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxoethyl]amino]-3-phenyl-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-bromo-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-3-phenylprop-2-enoate Traditional Name: (E)-3-bromo-2-[[2-(tert-butoxycarbonylamino)acetyl]amino]-3-phenyl-acrylic acid methyl ester Formula: C17H21BrN2O5 MolecularWeight: 413.26304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)OC(=O)NCC(=O)N/C(=C(\C1=CC=CC=C1)/Br)/C(=O)OC

InChI

InChI=1S/C17H21BrN2O5/c1-17(2,3)25-16(23)19-10-12(21)20-14(15(22)24-4)13(18)11-8-6-5-7-9-11/h5-9H,10H2,1-4H3,(H,19,23)(H,20,21)/b14-13+