ethyl (3S)-1-[2-(4-oxidanylidenequinazolin-3-yl)ethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-(4-oxidanylidenequinazolin-3-yl)ethanoyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(4-oxoquinazolin-3-yl)acetyl]piperidine-3-carboxylate CAS Name: (3S)-1-[1-oxo-2-(4-oxo-3-quinazolinyl)ethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(4-oxoquinazolin-3-yl)acetyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[2-(4-ketoquinazolin-3-yl)acetyl]nipecotic acid ethyl ester Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CN2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)CN2C=NC3=CC=CC=C3C2=O

InChI

InChI=1S/C18H21N3O4/c1-2-25-18(24)13-6-5-9-20(10-13)16(22)11-21-12-19-15-8-4-3-7-14(15)17(21)23/h3-4,7-8,12-13H,2,5-6,9-11H2,1H3/t13-/m0/s1