methyl (Z)-4-(bromomethyl)-2-formamido-8-(phenylmethoxycarbonylamino)oct-3-enoate

Systemtic Name: methyl (Z)-4-(bromomethyl)-2-formamido-8-(phenylmethoxycarbonylamino)oct-3-enoate Openeye Name: methyl (Z)-8-(benzyloxycarbonylamino)-4-(bromomethyl)-2-formamido-oct-3-enoate CAS Name: (Z)-4-(bromomethyl)-2-formamido-8-(phenylmethoxycarbonylamino)-3-octenoic acid methyl ester IUPAC Name: methyl (Z)-4-(bromomethyl)-2-formamido-8-(phenylmethoxycarbonylamino)oct-3-enoate Traditional Name: (Z)-8-(benzyloxycarbonylamino)-4-(bromomethyl)-2-formamido-oct-3-enoic acid methyl ester Formula: C19H25BrN2O5 MolecularWeight: 441.3162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C=C(CCCCNC(=O)OCC1=CC=CC=C1)CBr)NC=O

Isomeric SMILES

COC(=O)C(/C=C(/CCCCNC(=O)OCC1=CC=CC=C1)\CBr)NC=O

InChI

InChI=1S/C19H25BrN2O5/c1-26-18(24)17(22-14-23)11-16(12-20)9-5-6-10-21-19(25)27-13-15-7-3-2-4-8-15/h2-4,7-8,11,14,17H,5-6,9-10,12-13H2,1H3,(H,21,25)(H,22,23)/b16-11-