ethyl (E)-3-(3-fluorophenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate

Systemtic Name: ethyl (E)-3-(3-fluorophenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate Openeye Name: ethyl (E)-4-(tert-butoxycarbonylamino)-3-(3-fluorophenyl)but-2-enoate CAS Name: (E)-3-(3-fluorophenyl)-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-(3-fluorophenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate Traditional Name: (E)-4-(tert-butoxycarbonylamino)-3-(3-fluorophenyl)but-2-enoic acid ethyl ester Formula: C17H22FNO4 MolecularWeight: 323.359283

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(CNC(=O)OC(C)(C)C)C1=CC(=CC=C1)F

Isomeric SMILES

CCOC(=O)/C=C(/CNC(=O)OC(C)(C)C)\C1=CC(=CC=C1)F

InChI

InChI=1S/C17H22FNO4/c1-5-22-15(20)10-13(12-7-6-8-14(18)9-12)11-19-16(21)23-17(2,3)4/h6-10H,5,11H2,1-4H3,(H,19,21)/b13-10-