ethyl (E)-3-(6-methoxypyridin-3-yl)-6-[5-methyl-2-oxidanylidene-3-(oxidanylideneboranylmethylideneamino)pyrrolidin-1-yl]hex-4-enoate

Systemtic Name: ethyl (E)-3-(6-methoxypyridin-3-yl)-6-[5-methyl-2-oxidanylidene-3-(oxidanylideneboranylmethylideneamino)pyrrolidin-1-yl]hex-4-enoate Openeye Name: ethyl (E)-3-(6-methoxy-3-pyridyl)-6-[5-methyl-2-oxo-3-(oxoboranylmethyleneamino)pyrrolidin-1-yl]hex-4-enoate CAS Name: (E)-3-(6-methoxy-3-pyridinyl)-6-[5-methyl-2-oxo-3-(oxoboranylmethylideneamino)-1-pyrrolidinyl]-4-hexenoic acid ethyl ester IUPAC Name: ethyl (E)-3-(6-methoxypyridin-3-yl)-6-[5-methyl-2-oxo-3-(oxoboranylmethylideneamino)pyrrolidin-1-yl]hex-4-enoate Traditional Name: (E)-6-[2-keto-3-(ketoboranylmethyleneamino)-5-methyl-pyrrolidino]-3-(6-methoxy-3-pyridyl)hex-4-enoic acid ethyl ester Formula: C20H26BN3O5 MolecularWeight: 399.24854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B(=O)C=NC1CC(N(C1=O)CC=CC(CC(=O)OCC)C2=CN=C(C=C2)OC)C

Isomeric SMILES

B(=O)C=NC1CC(N(C1=O)C/C=C/C(CC(=O)OCC)C2=CN=C(C=C2)OC)C

InChI

InChI=1S/C20H26BN3O5/c1-4-29-19(25)11-15(16-7-8-18(28-3)22-12-16)6-5-9-24-14(2)10-17(20(24)26)23-13-21-27/h5-8,12-15,17H,4,9-11H2,1-3H3/b6-5+,23-13?