[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl (3S)-1-(furan-2-ylmethyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl (3S)-1-(furan-2-ylmethyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl (3S)-1-(2-furylmethyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(2-furanylmethyl)-5-oxo-3-pyrrolidinecarboxylic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(2-furfuryl)-5-keto-pyrrolidine-3-carboxylic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C21H18N4O5 MolecularWeight: 406.39142

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)CC2=CC=CO2)C(=O)OCC3=NC4=CC=CC=C4C(=O)N3CC#N

Isomeric SMILES

C1[C@@H](CN(C1=O)CC2=CC=CO2)C(=O)OCC3=NC4=CC=CC=C4C(=O)N3CC#N

InChI

InChI=1S/C21H18N4O5/c22-7-8-25-18(23-17-6-2-1-5-16(17)20(25)27)13-30-21(28)14-10-19(26)24(11-14)12-15-4-3-9-29-15/h1-6,9,14H,8,10-13H2/t14-/m0/s1