methyl 2-(4-cyclohexylbutanoyloxymethyl)-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-(4-cyclohexylbutanoyloxymethyl)-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-(4-cyclohexylbutanoyloxymethyl)-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[(4-cyclohexyl-1-oxobutoxy)methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-(4-cyclohexylbutanoyloxymethyl)-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-(4-cyclohexylbutanoyloxymethyl)-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)COC(=O)CCCC3CCCCC3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)COC(=O)CCCC3CCCCC3

InChI

InChI=1S/C21H26N2O5/c1-27-21(26)15-10-11-16-17(12-15)22-18(23-20(16)25)13-28-19(24)9-5-8-14-6-3-2-4-7-14/h10-12,14H,2-9,13H2,1H3,(H,22,23,25)