[4-(2-cyanophenyl)phenyl]methyl 3-(1-methyl-4-oxidanylidene-quinazolin-2-yl)propanoate

Systemtic Name: [4-(2-cyanophenyl)phenyl]methyl 3-(1-methyl-4-oxidanylidene-quinazolin-2-yl)propanoate Openeye Name: [4-(2-cyanophenyl)phenyl]methyl 3-(1-methyl-4-oxo-quinazolin-2-yl)propanoate CAS Name: 3-(1-methyl-4-oxo-2-quinazolinyl)propanoic acid [4-(2-cyanophenyl)phenyl]methyl ester IUPAC Name: [4-(2-cyanophenyl)phenyl]methyl 3-(1-methyl-4-oxoquinazolin-2-yl)propanoate Traditional Name: 3-(4-keto-1-methyl-quinazolin-2-yl)propionic acid [4-(2-cyanophenyl)benzyl] ester Formula: C26H21N3O3 MolecularWeight: 423.46324

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=O)N=C1CCC(=O)OCC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

CN1C2=CC=CC=C2C(=O)N=C1CCC(=O)OCC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

InChI=1S/C26H21N3O3/c1-29-23-9-5-4-8-22(23)26(31)28-24(29)14-15-25(30)32-17-18-10-12-19(13-11-18)21-7-3-2-6-20(21)16-27/h2-13H,14-15,17H2,1H3