[1-[(3-fluoranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(3-oxidanyl-1-adamantyl)ethanoate

Systemtic Name: [1-[(3-fluoranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(3-oxidanyl-1-adamantyl)ethanoate Openeye Name: [2-(3-fluoro-4-methyl-anilino)-1-methyl-2-oxo-ethyl] 2-(3-hydroxy-1-adamantyl)acetate CAS Name: 2-(3-hydroxy-1-adamantyl)acetic acid [1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 2-(3-hydroxy-1-adamantyl)acetate Traditional Name: 2-(3-hydroxy-1-adamantyl)acetic acid [2-(3-fluoro-4-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C22H28FNO4 MolecularWeight: 389.460423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)OC(=O)CC23CC4CC(C2)CC(C4)(C3)O)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)OC(=O)CC23CC4CC(C2)CC(C4)(C3)O)F

InChI

InChI=1S/C22H28FNO4/c1-13-3-4-17(6-18(13)23)24-20(26)14(2)28-19(25)11-21-7-15-5-16(8-21)10-22(27,9-15)12-21/h3-4,6,14-16,27H,5,7-12H2,1-2H3,(H,24,26)