[2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyladamantane-1-carboxylate

Systemtic Name: [2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyladamantane-1-carboxylate Openeye Name: [2-(3-chloro-4-fluoro-anilino)-2-oxo-ethyl] 3-chloroadamantane-1-carboxylate CAS Name: 3-chloro-1-adamantanecarboxylic acid [2-(3-chloro-4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 3-chloroadamantane-1-carboxylate Traditional Name: 3-chloroadamantane-1-carboxylic acid [2-(3-chloro-4-fluoro-anilino)-2-keto-ethyl] ester Formula: C19H20Cl2FNO3 MolecularWeight: 400.271403

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)OCC(=O)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)OCC(=O)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C19H20Cl2FNO3/c20-14-4-13(1-2-15(14)22)23-16(24)9-26-17(25)18-5-11-3-12(6-18)8-19(21,7-11)10-18/h1-2,4,11-12H,3,5-10H2,(H,23,24)