1-[4-[(4-oxidanylidenequinazolin-3-yl)methyl]cyclohexyl]carbonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-[(4-oxidanylidenequinazolin-3-yl)methyl]cyclohexyl]carbonylpyrrolidine-2-carboxylic acid Openeye Name: 1-[4-[(4-oxoquinazolin-3-yl)methyl]cyclohexanecarbonyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[oxo-[4-[(4-oxo-3-quinazolinyl)methyl]cyclohexyl]methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-[(4-oxoquinazolin-3-yl)methyl]cyclohexanecarbonyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[4-[(4-ketoquinazolin-3-yl)methyl]cyclohexanecarbonyl]proline Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2CCC(CC2)CN3C=NC4=CC=CC=C4C3=O)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C2CCC(CC2)CN3C=NC4=CC=CC=C4C3=O)C(=O)O

InChI

InChI=1S/C21H25N3O4/c25-19(24-11-3-6-18(24)21(27)28)15-9-7-14(8-10-15)12-23-13-22-17-5-2-1-4-16(17)20(23)26/h1-2,4-5,13-15,18H,3,6-12H2,(H,27,28)