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

Systemtic Name: [2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(3-oxidanyl-1-adamantyl)ethanoate Openeye Name: [2-(3-fluoro-4-methyl-anilino)-2-oxo-ethyl] 2-(3-hydroxy-1-adamantyl)acetate CAS Name: 2-(3-hydroxy-1-adamantyl)acetic acid [2-(3-fluoro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(3-hydroxy-1-adamantyl)acetate Traditional Name: 2-(3-hydroxy-1-adamantyl)acetic acid [2-(3-fluoro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C21H26FNO4 MolecularWeight: 375.433843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26FNO4/c1-13-2-3-16(5-17(13)22)23-18(24)11-27-19(25)10-20-6-14-4-15(7-20)9-21(26,8-14)12-20/h2-3,5,14-15,26H,4,6-12H2,1H3,(H,23,24)