[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-[2-(1-adamantyl)ethanoylamino]ethanoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-[2-(1-adamantyl)ethanoylamino]ethanoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate CAS Name: 2-[[2-(1-adamantyl)-1-oxoethyl]amino]acetic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate Traditional Name: 2-[[2-(1-adamantyl)acetyl]amino]acetic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C25H28N4O4 MolecularWeight: 448.51422

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NCC(=O)OCC4=NC5=CC=CC=C5C(=O)N4CC#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NCC(=O)OCC4=NC5=CC=CC=C5C(=O)N4CC#N

InChI

InChI=1S/C25H28N4O4/c26-5-6-29-21(28-20-4-2-1-3-19(20)24(29)32)15-33-23(31)14-27-22(30)13-25-10-16-7-17(11-25)9-18(8-16)12-25/h1-4,16-18H,6-15H2,(H,27,30)