2-(4-azanyl-2-adamantyl)benzoate

Systemtic Name: 2-(4-azanyl-2-adamantyl)benzoate Openeye Name: 2-(4-amino-2-adamantyl)benzoate CAS Name: 2-(4-amino-2-adamantyl)benzoate IUPAC Name: 2-(4-amino-2-adamantyl)benzoate Traditional Name: 2-(4-amino-2-adamantyl)benzoate Formula: C17H20NO2- MolecularWeight: 270.3462

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1C(C(C2)C3N)C4=CC=CC=C4C(=O)[O-]

Isomeric SMILES

C1C2CC3CC1C(C(C2)C3N)C4=CC=CC=C4C(=O)[O-]

InChI

InChI=1S/C17H21NO2/c18-16-11-6-9-5-10(8-11)15(14(16)7-9)12-3-1-2-4-13(12)17(19)20/h1-4,9-11,14-16H,5-8,18H2,(H,19,20)/p-1