1-benzofuran-2-ylmethyl 4-(4-oxidanylidenequinazolin-3-yl)butanoate

Systemtic Name: 1-benzofuran-2-ylmethyl 4-(4-oxidanylidenequinazolin-3-yl)butanoate Openeye Name: benzofuran-2-ylmethyl 4-(4-oxoquinazolin-3-yl)butanoate CAS Name: 4-(4-oxo-3-quinazolinyl)butanoic acid 2-benzofuranylmethyl ester IUPAC Name: 1-benzofuran-2-ylmethyl 4-(4-oxoquinazolin-3-yl)butanoate Traditional Name: 4-(4-ketoquinazolin-3-yl)butyric acid benzofuran-2-ylmethyl ester Formula: C21H18N2O4 MolecularWeight: 362.37862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(O2)COC(=O)CCCN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(O2)COC(=O)CCCN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C21H18N2O4/c24-20(26-13-16-12-15-6-1-4-9-19(15)27-16)10-5-11-23-14-22-18-8-3-2-7-17(18)21(23)25/h1-4,6-9,12,14H,5,10-11,13H2