ethyl 1-[4-(8-methyl-4-oxidanylidene-quinazolin-3-yl)butanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[4-(8-methyl-4-oxidanylidene-quinazolin-3-yl)butanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[4-(8-methyl-4-oxo-quinazolin-3-yl)butanoyl]piperidine-3-carboxylate CAS Name: 1-[4-(8-methyl-4-oxo-3-quinazolinyl)-1-oxobutyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(8-methyl-4-oxoquinazolin-3-yl)butanoyl]piperidine-3-carboxylate Traditional Name: 1-[4-(4-keto-8-methyl-quinazolin-3-yl)butanoyl]nipecotic acid ethyl ester Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CCCN2C=NC3=C(C2=O)C=CC=C3C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CCCN2C=NC3=C(C2=O)C=CC=C3C

InChI

InChI=1S/C21H27N3O4/c1-3-28-21(27)16-8-5-11-23(13-16)18(25)10-6-12-24-14-22-19-15(2)7-4-9-17(19)20(24)26/h4,7,9,14,16H,3,5-6,8,10-13H2,1-2H3