1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 4-butoxybenzoate

Systemtic Name: 1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 4-butoxybenzoate Openeye Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid 1-(4-oxo-1H-quinazolin-2-yl)ethyl ester IUPAC Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid 1-(4-keto-1H-quinazolin-2-yl)ethyl ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OC(C)C2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OC(C)C2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C21H22N2O4/c1-3-4-13-26-16-11-9-15(10-12-16)21(25)27-14(2)19-22-18-8-6-5-7-17(18)20(24)23-19/h5-12,14H,3-4,13H2,1-2H3,(H,22,23,24)