methyl 4-[6-(4-oxidanylidenequinazolin-3-yl)hexanoylamino]benzoate

Systemtic Name: methyl 4-[6-(4-oxidanylidenequinazolin-3-yl)hexanoylamino]benzoate Openeye Name: methyl 4-[6-(4-oxoquinazolin-3-yl)hexanoylamino]benzoate CAS Name: 4-[[1-oxo-6-(4-oxo-3-quinazolinyl)hexyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[6-(4-oxoquinazolin-3-yl)hexanoylamino]benzoate Traditional Name: 4-[6-(4-ketoquinazolin-3-yl)hexanoylamino]benzoic acid methyl ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CCCCCN2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CCCCCN2C=NC3=CC=CC=C3C2=O

InChI

InChI=1S/C22H23N3O4/c1-29-22(28)16-10-12-17(13-11-16)24-20(26)9-3-2-6-14-25-15-23-19-8-5-4-7-18(19)21(25)27/h4-5,7-8,10-13,15H,2-3,6,9,14H2,1H3,(H,24,26)