[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(3-bromanyl-1-adamantyl)ethanoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(3-bromanyl-1-adamantyl)ethanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-(3-bromo-1-adamantyl)acetate CAS Name: 2-(3-bromo-1-adamantyl)acetic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-(3-bromo-1-adamantyl)acetate Traditional Name: 2-(3-bromo-1-adamantyl)acetic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C17H23BrN2O3 MolecularWeight: 383.28012

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C17H23BrN2O3/c18-17-7-12-4-13(8-17)6-16(5-12,11-17)9-15(22)23-10-14(21)20-3-1-2-19/h12-13H,1,3-11H2,(H,20,21)