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

Systemtic Name: [4-(2-cyanophenyl)phenyl]methyl 3-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)propanoate Openeye Name: [4-(2-cyanophenyl)phenyl]methyl 3-(3-cyclopropyl-4-oxo-quinazolin-2-yl)propanoate CAS Name: 3-(3-cyclopropyl-4-oxo-2-quinazolinyl)propanoic acid [4-(2-cyanophenyl)phenyl]methyl ester IUPAC Name: [4-(2-cyanophenyl)phenyl]methyl 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoate Traditional Name: 3-(3-cyclopropyl-4-keto-quinazolin-2-yl)propionic acid [4-(2-cyanophenyl)benzyl] ester Formula: C28H23N3O3 MolecularWeight: 449.50052

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NC3=CC=CC=C3C2=O)CCC(=O)OCC4=CC=C(C=C4)C5=CC=CC=C5C#N

Isomeric SMILES

C1CC1N2C(=NC3=CC=CC=C3C2=O)CCC(=O)OCC4=CC=C(C=C4)C5=CC=CC=C5C#N

InChI

InChI=1S/C28H23N3O3/c29-17-21-5-1-2-6-23(21)20-11-9-19(10-12-20)18-34-27(32)16-15-26-30-25-8-4-3-7-24(25)28(33)31(26)22-13-14-22/h1-12,22H,13-16,18H2