methyl 2-[3-(4-tert-butylphenyl)propanoyloxymethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[3-(4-tert-butylphenyl)propanoyloxymethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[3-(4-tert-butylphenyl)propanoyloxymethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[3-(4-tert-butylphenyl)-1-oxopropoxy]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-(4-tert-butylphenyl)propanoyloxymethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[3-(4-tert-butylphenyl)propanoyloxymethyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C24H26N2O5 MolecularWeight: 422.47364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CCC(=O)OCC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CCC(=O)OCC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC

InChI

InChI=1S/C24H26N2O5/c1-24(2,3)17-9-5-15(6-10-17)7-12-21(27)31-14-20-25-19-13-16(23(29)30-4)8-11-18(19)22(28)26-20/h5-6,8-11,13H,7,12,14H2,1-4H3,(H,25,26,28)