O1-tert-butyl O3-[2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl] (3R)-piperidine-1,3-dicarboxylate

Systemtic Name: O1-tert-butyl O3-[2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl] (3R)-piperidine-1,3-dicarboxylate Openeye Name: O1-tert-butyl O3-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] (3R)-piperidine-1,3-dicarboxylate CAS Name: (3R)-piperidine-1,3-dicarboxylic acid O1-tert-butyl ester O3-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] ester IUPAC Name: 1-O-tert-butyl 3-O-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] (3R)-piperidine-1,3-dicarboxylate Traditional Name: (3R)-piperidine-1,3-dicarboxylic acid O1-tert-butyl ester O3-[2-keto-2-(3-keto-4H-1,4-benzoxazin-6-yl)ethyl] ester Formula: C21H26N2O7 MolecularWeight: 418.44034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)OCC(=O)C2=CC3=C(C=C2)OCC(=O)N3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H](C1)C(=O)OCC(=O)C2=CC3=C(C=C2)OCC(=O)N3

InChI

InChI=1S/C21H26N2O7/c1-21(2,3)30-20(27)23-8-4-5-14(10-23)19(26)29-11-16(24)13-6-7-17-15(9-13)22-18(25)12-28-17/h6-7,9,14H,4-5,8,10-12H2,1-3H3,(H,22,25)/t14-/m1/s1