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

Systemtic Name: [1-[(4-chloranyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-chloranyladamantane-1-carboxylate Openeye Name: [2-(4-chloro-2-fluoro-anilino)-1-methyl-2-oxo-ethyl] 3-chloroadamantane-1-carboxylate CAS Name: 3-chloro-1-adamantanecarboxylic acid [1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] 3-chloroadamantane-1-carboxylate Traditional Name: 3-chloroadamantane-1-carboxylic acid [2-(4-chloro-2-fluoro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C20H22Cl2FNO3 MolecularWeight: 414.297983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)Cl)F)OC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)Cl)F)OC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

InChI

InChI=1S/C20H22Cl2FNO3/c1-11(17(25)24-16-3-2-14(21)5-15(16)23)27-18(26)19-6-12-4-13(7-19)9-20(22,8-12)10-19/h2-3,5,11-13H,4,6-10H2,1H3,(H,24,25)