[2-(2-adamantylamino)-2-oxidanylidene-ethyl] 4-fluoranylbenzoate

Systemtic Name: [2-(2-adamantylamino)-2-oxidanylidene-ethyl] 4-fluoranylbenzoate Openeye Name: [2-(2-adamantylamino)-2-oxo-ethyl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [2-(2-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-adamantylamino)-2-oxoethyl] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [2-(2-adamantylamino)-2-keto-ethyl] ester Formula: C19H22FNO3 MolecularWeight: 331.381283

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=O)COC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=O)COC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C19H22FNO3/c20-16-3-1-13(2-4-16)19(23)24-10-17(22)21-18-14-6-11-5-12(8-14)9-15(18)7-11/h1-4,11-12,14-15,18H,5-10H2,(H,21,22)