(2-chloranyl-6-fluoranyl-phenyl)methyl 2-[2-(1-adamantyl)ethanoylamino]ethanoate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl 2-[2-(1-adamantyl)ethanoylamino]ethanoate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate CAS Name: 2-[[2-(1-adamantyl)-1-oxoethyl]amino]acetic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl 2-[[2-(1-adamantyl)acetyl]amino]acetate Traditional Name: 2-[[2-(1-adamantyl)acetyl]amino]acetic acid (2-chloro-6-fluoro-benzyl) ester Formula: C21H25ClFNO3 MolecularWeight: 393.879503

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NCC(=O)OCC4=C(C=CC=C4Cl)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NCC(=O)OCC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C21H25ClFNO3/c22-17-2-1-3-18(23)16(17)12-27-20(26)11-24-19(25)10-21-7-13-4-14(8-21)6-15(5-13)9-21/h1-3,13-15H,4-12H2,(H,24,25)