(1-cyanoindolizin-2-yl)methyl 3-acetamidoadamantane-1-carboxylate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 3-acetamidoadamantane-1-carboxylate Openeye Name: (1-cyanoindolizin-2-yl)methyl 3-acetamidoadamantane-1-carboxylate CAS Name: 3-acetamido-1-adamantanecarboxylic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 3-acetamidoadamantane-1-carboxylate Traditional Name: 3-acetamidoadamantane-1-carboxylic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC4=CN5C=CC=CC5=C4C#N

Isomeric SMILES

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC4=CN5C=CC=CC5=C4C#N

InChI

InChI=1S/C23H25N3O3/c1-15(27)25-23-9-16-6-17(10-23)8-22(7-16,14-23)21(28)29-13-18-12-26-5-3-2-4-20(26)19(18)11-24/h2-5,12,16-17H,6-10,13-14H2,1H3,(H,25,27)