4-[[4-(4-oxidanylidenequinazolin-3-yl)butanoylamino]methyl]cyclohexane-1-carboxylate

Systemtic Name: 4-[[4-(4-oxidanylidenequinazolin-3-yl)butanoylamino]methyl]cyclohexane-1-carboxylate Openeye Name: 4-[[4-(4-oxoquinazolin-3-yl)butanoylamino]methyl]cyclohexanecarboxylate CAS Name: 4-[[[1-oxo-4-(4-oxo-3-quinazolinyl)butyl]amino]methyl]-1-cyclohexanecarboxylate IUPAC Name: 4-[[4-(4-oxoquinazolin-3-yl)butanoylamino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[4-(4-ketoquinazolin-3-yl)butanoylamino]methyl]cyclohexanecarboxylate Formula: C20H24N3O4- MolecularWeight: 370.42226

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNC(=O)CCCN2C=NC3=CC=CC=C3C2=O)C(=O)[O-]

Isomeric SMILES

C1CC(CCC1CNC(=O)CCCN2C=NC3=CC=CC=C3C2=O)C(=O)[O-]

InChI

InChI=1S/C20H25N3O4/c24-18(21-12-14-7-9-15(10-8-14)20(26)27)6-3-11-23-13-22-17-5-2-1-4-16(17)19(23)25/h1-2,4-5,13-15H,3,6-12H2,(H,21,24)(H,26,27)/p-1