3-(4-oxidanylidenequinazolin-3-yl)propyl 3,4,5-trimethoxybenzoate

Systemtic Name: 3-(4-oxidanylidenequinazolin-3-yl)propyl 3,4,5-trimethoxybenzoate Openeye Name: 3-(4-oxoquinazolin-3-yl)propyl 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid 3-(4-oxo-3-quinazolinyl)propyl ester IUPAC Name: 3-(4-oxoquinazolin-3-yl)propyl 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid 3-(4-ketoquinazolin-3-yl)propyl ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OCCCN2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OCCCN2C=NC3=CC=CC=C3C2=O

InChI

InChI=1S/C21H22N2O6/c1-26-17-11-14(12-18(27-2)19(17)28-3)21(25)29-10-6-9-23-13-22-16-8-5-4-7-15(16)20(23)24/h4-5,7-8,11-13H,6,9-10H2,1-3H3