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

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 3-oxidanyladamantane-1-carboxylate Openeye Name: (1-cyanoindolizin-2-yl)methyl 3-hydroxyadamantane-1-carboxylate CAS Name: 3-hydroxy-1-adamantanecarboxylic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 3-hydroxyadamantane-1-carboxylate Traditional Name: 3-hydroxyadamantane-1-carboxylic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)C(=O)OCC4=CN5C=CC=CC5=C4C#N

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)O)C(=O)OCC4=CN5C=CC=CC5=C4C#N

InChI

InChI=1S/C21H22N2O3/c22-10-17-16(11-23-4-2-1-3-18(17)23)12-26-19(24)20-6-14-5-15(7-20)9-21(25,8-14)13-20/h1-4,11,14-15,25H,5-9,12-13H2