1-(4-bromanylbutyl)-3-[(4-methoxyphenyl)methyl]-2,4-bis(oxidanylidene)quinazoline-7-carboxylic acid

Systemtic Name: 1-(4-bromanylbutyl)-3-[(4-methoxyphenyl)methyl]-2,4-bis(oxidanylidene)quinazoline-7-carboxylic acid Openeye Name: 1-(4-bromobutyl)-3-[(4-methoxyphenyl)methyl]-2,4-dioxo-quinazoline-7-carboxylic acid CAS Name: 1-(4-bromobutyl)-3-[(4-methoxyphenyl)methyl]-2,4-dioxo-7-quinazolinecarboxylic acid IUPAC Name: 1-(4-bromobutyl)-3-[(4-methoxyphenyl)methyl]-2,4-dioxoquinazoline-7-carboxylic acid Traditional Name: 1-(4-bromobutyl)-2,4-diketo-3-p-anisyl-quinazoline-7-carboxylic acid Formula: C21H21BrN2O5 MolecularWeight: 461.30584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)O)N(C2=O)CCCCBr

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)O)N(C2=O)CCCCBr

InChI

InChI=1S/C21H21BrN2O5/c1-29-16-7-4-14(5-8-16)13-24-19(25)17-9-6-15(20(26)27)12-18(17)23(21(24)28)11-3-2-10-22/h4-9,12H,2-3,10-11,13H2,1H3,(H,26,27)