[2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(1-adamantylcarbamoyl)benzoate

Systemtic Name: [2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(1-adamantylcarbamoyl)benzoate Openeye Name: [2-(3-chloro-4-fluoro-anilino)-2-oxo-ethyl] 2-(1-adamantylcarbamoyl)benzoate CAS Name: 2-[(1-adamantylamino)-oxomethyl]benzoic acid [2-(3-chloro-4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-(1-adamantylcarbamoyl)benzoate Traditional Name: 2-(1-adamantylcarbamoyl)benzoic acid [2-(3-chloro-4-fluoro-anilino)-2-keto-ethyl] ester Formula: C26H26ClFN2O4 MolecularWeight: 484.947043

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC=CC=C4C(=O)OCC(=O)NC5=CC(=C(C=C5)F)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC=CC=C4C(=O)OCC(=O)NC5=CC(=C(C=C5)F)Cl

InChI

InChI=1S/C26H26ClFN2O4/c27-21-10-18(5-6-22(21)28)29-23(31)14-34-25(33)20-4-2-1-3-19(20)24(32)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)(H,30,32)