methyl (E)-4-(4-ethanoylphenyl)-2-(phenylmethoxycarbonylamino)but-2-enoate

Systemtic Name: methyl (E)-4-(4-ethanoylphenyl)-2-(phenylmethoxycarbonylamino)but-2-enoate Openeye Name: methyl (E)-4-(4-acetylphenyl)-2-(benzyloxycarbonylamino)but-2-enoate CAS Name: (E)-4-(4-acetylphenyl)-2-(phenylmethoxycarbonylamino)-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-(4-acetylphenyl)-2-(phenylmethoxycarbonylamino)but-2-enoate Traditional Name: (E)-4-(4-acetylphenyl)-2-(benzyloxycarbonylamino)but-2-enoic acid methyl ester Formula: C21H21NO5 MolecularWeight: 367.39514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO5/c1-15(23)18-11-8-16(9-12-18)10-13-19(20(24)26-2)22-21(25)27-14-17-6-4-3-5-7-17/h3-9,11-13H,10,14H2,1-2H3,(H,22,25)/b19-13+