ethyl 1-[4-(7-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)butanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-(7-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)butanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[4-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)butanoyl]piperidine-4-carboxylate CAS Name: 1-[4-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-1-oxobutyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)butanoyl]piperidine-4-carboxylate Traditional Name: 1-[4-(3-keto-7-methyl-1,4-benzoxazin-4-yl)butanoyl]isonipecotic acid ethyl ester Formula: C21H28N2O5 MolecularWeight: 388.45742

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CCCN2C(=O)COC3=C2C=CC(=C3)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CCCN2C(=O)COC3=C2C=CC(=C3)C

InChI

InChI=1S/C21H28N2O5/c1-3-27-21(26)16-8-11-22(12-9-16)19(24)5-4-10-23-17-7-6-15(2)13-18(17)28-14-20(23)25/h6-7,13,16H,3-5,8-12,14H2,1-2H3