1-adamantylmethyl 4-cyanobenzoate

Systemtic Name: 1-adamantylmethyl 4-cyanobenzoate Openeye Name: 1-adamantylmethyl 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid 1-adamantylmethyl ester IUPAC Name: 1-adamantylmethyl 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid 1-adamantylmethyl ester Formula: C19H21NO2 MolecularWeight: 295.37554

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)COC(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)COC(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C19H21NO2/c20-11-13-1-3-17(4-2-13)18(21)22-12-19-8-14-5-15(9-19)7-16(6-14)10-19/h1-4,14-16H,5-10,12H2