tert-butyl 4-fluoranyl-3-[[[(E)-4-methoxy-4-oxidanylidene-but-2-enoyl]-methyl-amino]methyl]benzoate

Systemtic Name: tert-butyl 4-fluoranyl-3-[[[(E)-4-methoxy-4-oxidanylidene-but-2-enoyl]-methyl-amino]methyl]benzoate Openeye Name: tert-butyl 4-fluoro-3-[[[(E)-4-methoxy-4-oxo-but-2-enoyl]-methyl-amino]methyl]benzoate CAS Name: 4-fluoro-3-[[[(E)-4-methoxy-1,4-dioxobut-2-enyl]-methylamino]methyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-fluoro-3-[[[(E)-4-methoxy-4-oxobut-2-enoyl]-methylamino]methyl]benzoate Traditional Name: 4-fluoro-3-[[[(E)-4-keto-4-methoxy-but-2-enoyl]-methyl-amino]methyl]benzoic acid tert-butyl ester Formula: C18H22FNO5 MolecularWeight: 351.369383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC(=C(C=C1)F)CN(C)C(=O)C=CC(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(=C(C=C1)F)CN(C)C(=O)/C=C/C(=O)OC

InChI

InChI=1S/C18H22FNO5/c1-18(2,3)25-17(23)12-6-7-14(19)13(10-12)11-20(4)15(21)8-9-16(22)24-5/h6-10H,11H2,1-5H3/b9-8+