[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)methoxy]benzoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)methoxy]benzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-[(4-chlorophenyl)methoxy]benzoate CAS Name: 2-[(4-chlorophenyl)methoxy]benzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-[(4-chlorophenyl)methoxy]benzoate Traditional Name: 2-(4-chlorobenzyl)oxybenzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C26H28ClNO4 MolecularWeight: 453.95782

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC=CC=C4OCC5=CC=C(C=C5)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC=CC=C4OCC5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H28ClNO4/c27-21-7-5-17(6-8-21)15-31-23-4-2-1-3-22(23)25(30)32-16-24(29)28-26-12-18-9-19(13-26)11-20(10-18)14-26/h1-8,18-20H,9-16H2,(H,28,29)