(phenylmethyl) (Z)-3-(6-bromanylpyridin-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate

Systemtic Name: (phenylmethyl) (Z)-3-(6-bromanylpyridin-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate Openeye Name: benzyl (Z)-3-(6-bromo-2-pyridyl)-2-(tert-butoxycarbonylamino)prop-2-enoate CAS Name: (Z)-3-(6-bromo-2-pyridinyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-propenoic acid (phenylmethyl) ester IUPAC Name: benzyl (Z)-3-(6-bromopyridin-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate Traditional Name: (Z)-3-(6-bromo-2-pyridyl)-2-(tert-butoxycarbonylamino)acrylic acid benzyl ester Formula: C20H21BrN2O4 MolecularWeight: 433.29574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(=CC1=NC(=CC=C1)Br)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N/C(=C\C1=NC(=CC=C1)Br)/C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H21BrN2O4/c1-20(2,3)27-19(25)23-16(12-15-10-7-11-17(21)22-15)18(24)26-13-14-8-5-4-6-9-14/h4-12H,13H2,1-3H3,(H,23,25)/b16-12-