2-methylpropyl 3-(2-chlorophenyl)-2-(hydroxymethyl)-5,7-dimethyl-4-oxidanylidene-quinazoline-6-carboxylate

Systemtic Name: 2-methylpropyl 3-(2-chlorophenyl)-2-(hydroxymethyl)-5,7-dimethyl-4-oxidanylidene-quinazoline-6-carboxylate Openeye Name: isobutyl 3-(2-chlorophenyl)-2-(hydroxymethyl)-5,7-dimethyl-4-oxo-quinazoline-6-carboxylate CAS Name: 3-(2-chlorophenyl)-2-(hydroxymethyl)-5,7-dimethyl-4-oxo-6-quinazolinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-(2-chlorophenyl)-2-(hydroxymethyl)-5,7-dimethyl-4-oxoquinazoline-6-carboxylate Traditional Name: 3-(2-chlorophenyl)-4-keto-5,7-dimethyl-2-methylol-quinazoline-6-carboxylic acid isobutyl ester Formula: C22H23ClN2O4 MolecularWeight: 414.88202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1C(=O)OCC(C)C)C)C(=O)N(C(=N2)CO)C3=CC=CC=C3Cl

Isomeric SMILES

CC1=CC2=C(C(=C1C(=O)OCC(C)C)C)C(=O)N(C(=N2)CO)C3=CC=CC=C3Cl

InChI

InChI=1S/C22H23ClN2O4/c1-12(2)11-29-22(28)19-13(3)9-16-20(14(19)4)21(27)25(18(10-26)24-16)17-8-6-5-7-15(17)23/h5-9,12,26H,10-11H2,1-4H3