[2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-chloranyl-2-[(4-fluorophenyl)carbonylamino]benzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-chloranyl-2-[(4-fluorophenyl)carbonylamino]benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 4-chloro-2-[(4-fluorobenzoyl)amino]benzoate CAS Name: 4-chloro-2-[[(4-fluorophenyl)-oxomethyl]amino]benzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 4-chloro-2-[(4-fluorobenzoyl)amino]benzoate Traditional Name: 4-chloro-2-[(4-fluorobenzoyl)amino]benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C26H25ClFNO4 MolecularWeight: 469.932403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25ClFNO4/c27-19-3-6-21(22(10-19)29-24(31)18-1-4-20(28)5-2-18)25(32)33-14-23(30)26-11-15-7-16(12-26)9-17(8-15)13-26/h1-6,10,15-17H,7-9,11-14H2,(H,29,31)