(1-cyanoindolizin-2-yl)methyl adamantane-2-carboxylate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl adamantane-2-carboxylate Openeye Name: (1-cyanoindolizin-2-yl)methyl adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C21H22N2O2 MolecularWeight: 334.41158

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3C(=O)OCC4=CN5C=CC=CC5=C4C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)C3C(=O)OCC4=CN5C=CC=CC5=C4C#N

InChI

InChI=1S/C21H22N2O2/c22-10-18-17(11-23-4-2-1-3-19(18)23)12-25-21(24)20-15-6-13-5-14(8-15)9-16(20)7-13/h1-4,11,13-16,20H,5-9,12H2