1-[4-[(4-oxidanylidenequinazolin-3-yl)methyl]cyclohexyl]carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[4-[(4-oxidanylidenequinazolin-3-yl)methyl]cyclohexyl]carbonylpiperidine-4-carboxylic acid Openeye Name: 1-[4-[(4-oxoquinazolin-3-yl)methyl]cyclohexanecarbonyl]piperidine-4-carboxylic acid CAS Name: 1-[oxo-[4-[(4-oxo-3-quinazolinyl)methyl]cyclohexyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-[(4-oxoquinazolin-3-yl)methyl]cyclohexanecarbonyl]piperidine-4-carboxylic acid Traditional Name: 1-[4-[(4-ketoquinazolin-3-yl)methyl]cyclohexanecarbonyl]isonipecotic acid Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN2C=NC3=CC=CC=C3C2=O)C(=O)N4CCC(CC4)C(=O)O

Isomeric SMILES

C1CC(CCC1CN2C=NC3=CC=CC=C3C2=O)C(=O)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C22H27N3O4/c26-20(24-11-9-17(10-12-24)22(28)29)16-7-5-15(6-8-16)13-25-14-23-19-4-2-1-3-18(19)21(25)27/h1-4,14-17H,5-13H2,(H,28,29)