[(1R)-1-cyanoethyl] 3-[3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]propanoate

Systemtic Name: [(1R)-1-cyanoethyl] 3-[3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]propanoate Openeye Name: [(1R)-1-cyanoethyl] 3-[4-oxo-3-(p-tolyl)quinazolin-2-yl]propanoate CAS Name: 3-[3-(4-methylphenyl)-4-oxo-2-quinazolinyl]propanoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 3-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propanoate Traditional Name: 3-[4-keto-3-(p-tolyl)quinazolin-2-yl]propionic acid [(1R)-1-cyanoethyl] ester Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)CCC(=O)OC(C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)CCC(=O)O[C@H](C)C#N

InChI

InChI=1S/C21H19N3O3/c1-14-7-9-16(10-8-14)24-19(11-12-20(25)27-15(2)13-22)23-18-6-4-3-5-17(18)21(24)26/h3-10,15H,11-12H2,1-2H3/t15-/m1/s1