ethyl 3-(6-methoxypyridin-3-yl)-6-[5-methyl-2-oxidanylidene-3-(oxidanylideneboranylmethylideneamino)pyrrolidin-1-yl]hexanoate

Systemtic Name: ethyl 3-(6-methoxypyridin-3-yl)-6-[5-methyl-2-oxidanylidene-3-(oxidanylideneboranylmethylideneamino)pyrrolidin-1-yl]hexanoate Openeye Name: ethyl 3-(6-methoxy-3-pyridyl)-6-[5-methyl-2-oxo-3-(oxoboranylmethyleneamino)pyrrolidin-1-yl]hexanoate CAS Name: 3-(6-methoxy-3-pyridinyl)-6-[5-methyl-2-oxo-3-(oxoboranylmethylideneamino)-1-pyrrolidinyl]hexanoic acid ethyl ester IUPAC Name: ethyl 3-(6-methoxypyridin-3-yl)-6-[5-methyl-2-oxo-3-(oxoboranylmethylideneamino)pyrrolidin-1-yl]hexanoate Traditional Name: 6-[2-keto-3-(ketoboranylmethyleneamino)-5-methyl-pyrrolidino]-3-(6-methoxy-3-pyridyl)hexanoic acid ethyl ester Formula: C20H28BN3O5 MolecularWeight: 401.26442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28BN3O5/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/h7-8,12-15,17H,4-6,9-11H2,1-3H3