ethyl 1-[4-(6-ethanoyl-3-oxidanylidene-1,4-benzoxazin-4-yl)butanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[4-(6-ethanoyl-3-oxidanylidene-1,4-benzoxazin-4-yl)butanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[4-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)butanoyl]piperidine-3-carboxylate CAS Name: 1-[4-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)-1-oxobutyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)butanoyl]piperidine-3-carboxylate Traditional Name: 1-[4-(6-acetyl-3-keto-1,4-benzoxazin-4-yl)butanoyl]nipecotic acid ethyl ester Formula: C22H28N2O6 MolecularWeight: 416.46752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CCCN2C(=O)COC3=C2C=C(C=C3)C(=O)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CCCN2C(=O)COC3=C2C=C(C=C3)C(=O)C

InChI

InChI=1S/C22H28N2O6/c1-3-29-22(28)17-6-4-10-23(13-17)20(26)7-5-11-24-18-12-16(15(2)25)8-9-19(18)30-14-21(24)27/h8-9,12,17H,3-7,10-11,13-14H2,1-2H3