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

Systemtic Name: (1-butylpiperidin-4-yl)methyl 6-chloranyl-4-methyl-3-oxidanylidene-1,4-benzoxazine-8-carboxylate Openeye Name: (1-butyl-4-piperidyl)methyl 6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxylate CAS Name: 6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxylic acid (1-butyl-4-piperidinyl)methyl ester IUPAC Name: (1-butylpiperidin-4-yl)methyl 6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxylate Traditional Name: 6-chloro-3-keto-4-methyl-1,4-benzoxazine-8-carboxylic acid (1-butyl-4-piperidyl)methyl ester Formula: C20H27ClN2O4 MolecularWeight: 394.89238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC(CC1)COC(=O)C2=CC(=CC3=C2OCC(=O)N3C)Cl

Isomeric SMILES

CCCCN1CCC(CC1)COC(=O)C2=CC(=CC3=C2OCC(=O)N3C)Cl

InChI

InChI=1S/C20H27ClN2O4/c1-3-4-7-23-8-5-14(6-9-23)12-27-20(25)16-10-15(21)11-17-19(16)26-13-18(24)22(17)2/h10-11,14H,3-9,12-13H2,1-2H3