[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-[(3-methylphenyl)carbonylamino]ethanoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-[(3-methylphenyl)carbonylamino]ethanoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 2-[(3-methylbenzoyl)amino]acetate CAS Name: 2-[[(3-methylphenyl)-oxomethyl]amino]acetic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 2-[(3-methylbenzoyl)amino]acetate Traditional Name: 2-(m-toluoylamino)acetic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C21H18N4O4 MolecularWeight: 390.39202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCC(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCC(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

InChI

InChI=1S/C21H18N4O4/c1-14-5-4-6-15(11-14)20(27)23-12-19(26)29-13-18-24-17-8-3-2-7-16(17)21(28)25(18)10-9-22/h2-8,11H,10,12-13H2,1H3,(H,23,27)