4-(2-adamantylamino)-4-oxidanylidene-butanoate

Systemtic Name: 4-(2-adamantylamino)-4-oxidanylidene-butanoate Openeye Name: 4-(2-adamantylamino)-4-oxo-butanoate CAS Name: 4-(2-adamantylamino)-4-oxobutanoate IUPAC Name: 4-(2-adamantylamino)-4-oxobutanoate Traditional Name: 4-(2-adamantylamino)-4-keto-butyrate Formula: C14H20NO3- MolecularWeight: 250.3135

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=O)CCC(=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C14H21NO3/c16-12(1-2-13(17)18)15-14-10-4-8-3-9(6-10)7-11(14)5-8/h8-11,14H,1-7H2,(H,15,16)(H,17,18)/p-1