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

Systemtic Name: ethyl 6-[5-methyl-2-oxidanylidene-3-(oxidanylideneboranylmethylideneamino)pyrrolidin-1-yl]-3-(2-methylpyrimidin-5-yl)hexanoate Openeye Name: ethyl 6-[5-methyl-2-oxo-3-(oxoboranylmethyleneamino)pyrrolidin-1-yl]-3-(2-methylpyrimidin-5-yl)hexanoate CAS Name: 6-[5-methyl-2-oxo-3-(oxoboranylmethylideneamino)-1-pyrrolidinyl]-3-(2-methyl-5-pyrimidinyl)hexanoic acid ethyl ester IUPAC Name: ethyl 6-[5-methyl-2-oxo-3-(oxoboranylmethylideneamino)pyrrolidin-1-yl]-3-(2-methylpyrimidin-5-yl)hexanoate Traditional Name: 6-[2-keto-3-(ketoboranylmethyleneamino)-5-methyl-pyrrolidino]-3-(2-methylpyrimidin-5-yl)hexanoic acid ethyl ester Formula: C19H27BN4O4 MolecularWeight: 386.25308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27BN4O4/c1-4-28-18(25)9-15(16-10-21-14(3)22-11-16)6-5-7-24-13(2)8-17(19(24)26)23-12-20-27/h10-13,15,17H,4-9H2,1-3H3