tert-butyl 1-(7-azanyl-5-methyl-4-oxidanylidene-3,1-benzoxazin-2-yl)piperidine-4-carboxylate

Systemtic Name: tert-butyl 1-(7-azanyl-5-methyl-4-oxidanylidene-3,1-benzoxazin-2-yl)piperidine-4-carboxylate Openeye Name: tert-butyl 1-(7-amino-5-methyl-4-oxo-3,1-benzoxazin-2-yl)piperidine-4-carboxylate CAS Name: 1-(7-amino-5-methyl-4-oxo-3,1-benzoxazin-2-yl)-4-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(7-amino-5-methyl-4-oxo-3,1-benzoxazin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(7-amino-4-keto-5-methyl-3,1-benzoxazin-2-yl)isonipecotic acid tert-butyl ester Formula: C19H25N3O4 MolecularWeight: 359.4195

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1C(=O)OC(=N2)N3CCC(CC3)C(=O)OC(C)(C)C)N

Isomeric SMILES

CC1=CC(=CC2=C1C(=O)OC(=N2)N3CCC(CC3)C(=O)OC(C)(C)C)N

InChI

InChI=1S/C19H25N3O4/c1-11-9-13(20)10-14-15(11)17(24)25-18(21-14)22-7-5-12(6-8-22)16(23)26-19(2,3)4/h9-10,12H,5-8,20H2,1-4H3