1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 3-bromanyl-5-methoxy-4-propoxy-benzoate

Systemtic Name: 1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 3-bromanyl-5-methoxy-4-propoxy-benzoate Openeye Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 3-bromo-5-methoxy-4-propoxy-benzoate CAS Name: 3-bromo-5-methoxy-4-propoxybenzoic acid 1-(4-oxo-1H-quinazolin-2-yl)ethyl ester IUPAC Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 3-bromo-5-methoxy-4-propoxybenzoate Traditional Name: 3-bromo-5-methoxy-4-propoxy-benzoic acid 1-(4-keto-1H-quinazolin-2-yl)ethyl ester Formula: C21H21BrN2O5 MolecularWeight: 461.30584

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)OC(C)C2=NC(=O)C3=CC=CC=C3N2)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)OC(C)C2=NC(=O)C3=CC=CC=C3N2)OC

InChI

InChI=1S/C21H21BrN2O5/c1-4-9-28-18-15(22)10-13(11-17(18)27-3)21(26)29-12(2)19-23-16-8-6-5-7-14(16)20(25)24-19/h5-8,10-12H,4,9H2,1-3H3,(H,23,24,25)