4-[[2-(4-oxidanylidenequinazolin-3-yl)hexanoylamino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[2-(4-oxidanylidenequinazolin-3-yl)hexanoylamino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[2-(4-oxoquinazolin-3-yl)hexanoylamino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[1-oxo-2-(4-oxo-3-quinazolinyl)hexyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[2-(4-oxoquinazolin-3-yl)hexanoylamino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[2-(4-ketoquinazolin-3-yl)hexanoylamino]methyl]cyclohexanecarboxylic acid Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NCC1CCC(CC1)C(=O)O)N2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

CCCCC(C(=O)NCC1CCC(CC1)C(=O)O)N2C=NC3=CC=CC=C3C2=O

InChI

InChI=1S/C22H29N3O4/c1-2-3-8-19(25-14-24-18-7-5-4-6-17(18)21(25)27)20(26)23-13-15-9-11-16(12-10-15)22(28)29/h4-7,14-16,19H,2-3,8-13H2,1H3,(H,23,26)(H,28,29)