4-[[6-(4-oxidanylidenequinazolin-3-yl)hexanoylamino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[6-(4-oxidanylidenequinazolin-3-yl)hexanoylamino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[6-(4-oxoquinazolin-3-yl)hexanoylamino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[1-oxo-6-(4-oxo-3-quinazolinyl)hexyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[6-(4-oxoquinazolin-3-yl)hexanoylamino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[6-(4-ketoquinazolin-3-yl)hexanoylamino]methyl]cyclohexanecarboxylic acid Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNC(=O)CCCCCN2C=NC3=CC=CC=C3C2=O)C(=O)O

Isomeric SMILES

C1CC(CCC1CNC(=O)CCCCCN2C=NC3=CC=CC=C3C2=O)C(=O)O

InChI

InChI=1S/C22H29N3O4/c26-20(23-14-16-9-11-17(12-10-16)22(28)29)8-2-1-5-13-25-15-24-19-7-4-3-6-18(19)21(25)27/h3-4,6-7,15-17H,1-2,5,8-14H2,(H,23,26)(H,28,29)