methyl (2S)-1-[3-(5-methoxy-4-oxidanylidene-3,1-benzoxazin-2-yl)pyridin-2-yl]pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-[3-(5-methoxy-4-oxidanylidene-3,1-benzoxazin-2-yl)pyridin-2-yl]pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[3-(5-methoxy-4-oxo-3,1-benzoxazin-2-yl)-2-pyridyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[3-(5-methoxy-4-oxo-3,1-benzoxazin-2-yl)-2-pyridinyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[3-(5-methoxy-4-oxo-3,1-benzoxazin-2-yl)pyridin-2-yl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[3-(4-keto-5-methoxy-3,1-benzoxazin-2-yl)-2-pyridyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C20H19N3O5 MolecularWeight: 381.38196

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C(=O)OC(=N2)C3=C(N=CC=C3)N4CCCC4C(=O)OC

Isomeric SMILES

COC1=CC=CC2=C1C(=O)OC(=N2)C3=C(N=CC=C3)N4CCC[C@H]4C(=O)OC

InChI

InChI=1S/C20H19N3O5/c1-26-15-9-3-7-13-16(15)20(25)28-18(22-13)12-6-4-10-21-17(12)23-11-5-8-14(23)19(24)27-2/h3-4,6-7,9-10,14H,5,8,11H2,1-2H3/t14-/m0/s1