2-[2-[(3,4-dimethoxyphenyl)methyl]-4-oxidanylidene-quinazolin-3-yl]ethyl 4-bromanylbenzoate

Systemtic Name: 2-[2-[(3,4-dimethoxyphenyl)methyl]-4-oxidanylidene-quinazolin-3-yl]ethyl 4-bromanylbenzoate Openeye Name: 2-[2-[(3,4-dimethoxyphenyl)methyl]-4-oxo-quinazolin-3-yl]ethyl 4-bromobenzoate CAS Name: 4-bromobenzoic acid 2-[2-[(3,4-dimethoxyphenyl)methyl]-4-oxo-3-quinazolinyl]ethyl ester IUPAC Name: 2-[2-[(3,4-dimethoxyphenyl)methyl]-4-oxoquinazolin-3-yl]ethyl 4-bromobenzoate Traditional Name: 4-bromobenzoic acid 2-(4-keto-2-veratryl-quinazolin-3-yl)ethyl ester Formula: C26H23BrN2O5 MolecularWeight: 523.37522

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NC3=CC=CC=C3C(=O)N2CCOC(=O)C4=CC=C(C=C4)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NC3=CC=CC=C3C(=O)N2CCOC(=O)C4=CC=C(C=C4)Br)OC

InChI

InChI=1S/C26H23BrN2O5/c1-32-22-12-7-17(15-23(22)33-2)16-24-28-21-6-4-3-5-20(21)25(30)29(24)13-14-34-26(31)18-8-10-19(27)11-9-18/h3-12,15H,13-14,16H2,1-2H3