[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl (2R,3S)-3-methyl-2-phenyl-pentanoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl (2R,3S)-3-methyl-2-phenyl-pentanoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl (2R,3S)-3-methyl-2-phenyl-pentanoate CAS Name: (2R,3S)-3-methyl-2-phenylpentanoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl (2R,3S)-3-methyl-2-phenylpentanoate Traditional Name: (2R,3S)-3-methyl-2-phenyl-valeric acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C23H23N3O3 MolecularWeight: 389.44702

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C1=CC=CC=C1)C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

Isomeric SMILES

CC[C@H](C)[C@H](C1=CC=CC=C1)C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

InChI

InChI=1S/C23H23N3O3/c1-3-16(2)21(17-9-5-4-6-10-17)23(28)29-15-20-25-19-12-8-7-11-18(19)22(27)26(20)14-13-24/h4-12,16,21H,3,14-15H2,1-2H3/t16-,21+/m0/s1