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

Systemtic Name: methyl 2-[3-(2-ethoxyphenyl)propanoyloxymethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[3-(2-ethoxyphenyl)propanoyloxymethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[3-(2-ethoxyphenyl)-1-oxopropoxy]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-(2-ethoxyphenyl)propanoyloxymethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-(3-o-phenetylpropanoyloxymethyl)-1H-quinazoline-7-carboxylic acid methyl ester Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CCC(=O)OCC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC

Isomeric SMILES

CCOC1=CC=CC=C1CCC(=O)OCC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H22N2O6/c1-3-29-18-7-5-4-6-14(18)9-11-20(25)30-13-19-23-17-12-15(22(27)28-2)8-10-16(17)21(26)24-19/h4-8,10,12H,3,9,11,13H2,1-2H3,(H,23,24,26)