[2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-6-fluoranyl-benzoate

Systemtic Name: [2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-6-fluoranyl-benzoate Openeye Name: [2-[1-adamantyl(2-furylmethyl)amino]-2-oxo-ethyl] 2-chloro-6-fluoro-benzoate CAS Name: 2-chloro-6-fluorobenzoic acid [2-[1-adamantyl(2-furanylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate Traditional Name: 2-chloro-6-fluoro-benzoic acid [2-[1-adamantyl(2-furfuryl)amino]-2-keto-ethyl] ester Formula: C24H25ClFNO4 MolecularWeight: 445.911003

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N(CC4=CC=CO4)C(=O)COC(=O)C5=C(C=CC=C5Cl)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N(CC4=CC=CO4)C(=O)COC(=O)C5=C(C=CC=C5Cl)F

InChI

InChI=1S/C24H25ClFNO4/c25-19-4-1-5-20(26)22(19)23(29)31-14-21(28)27(13-18-3-2-6-30-18)24-10-15-7-16(11-24)9-17(8-15)12-24/h1-6,15-17H,7-14H2