2-adamantyl 4-cyanobenzoate

Systemtic Name: 2-adamantyl 4-cyanobenzoate Openeye Name: 2-adamantyl 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid 2-adamantyl ester IUPAC Name: 2-adamantyl 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid 2-adamantyl ester Formula: C18H19NO2 MolecularWeight: 281.34896

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3OC(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)C3OC(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C18H19NO2/c19-10-11-1-3-14(4-2-11)18(20)21-17-15-6-12-5-13(8-15)9-16(17)7-12/h1-4,12-13,15-17H,5-9H2