(1-butylpiperidin-4-yl)methyl 6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazine-8-carboxylate

Systemtic Name: (1-butylpiperidin-4-yl)methyl 6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazine-8-carboxylate Openeye Name: (1-butyl-4-piperidyl)methyl 6-chloro-3-oxo-4H-1,4-benzoxazine-8-carboxylate CAS Name: 6-chloro-3-oxo-4H-1,4-benzoxazine-8-carboxylic acid (1-butyl-4-piperidinyl)methyl ester IUPAC Name: (1-butylpiperidin-4-yl)methyl 6-chloro-3-oxo-4H-1,4-benzoxazine-8-carboxylate Traditional Name: 6-chloro-3-keto-4H-1,4-benzoxazine-8-carboxylic acid (1-butyl-4-piperidyl)methyl ester Formula: C19H25ClN2O4 MolecularWeight: 380.8658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC(CC1)COC(=O)C2=CC(=CC3=C2OCC(=O)N3)Cl

Isomeric SMILES

CCCCN1CCC(CC1)COC(=O)C2=CC(=CC3=C2OCC(=O)N3)Cl

InChI

InChI=1S/C19H25ClN2O4/c1-2-3-6-22-7-4-13(5-8-22)11-26-19(24)15-9-14(20)10-16-18(15)25-12-17(23)21-16/h9-10,13H,2-8,11-12H2,1H3,(H,21,23)