pentyl 2-[3-(2,3-diaminocarbonyl-6-chloranyl-2-fluoranyl-cyclohexyl)phenoxy]ethanoate

Systemtic Name: pentyl 2-[3-(2,3-diaminocarbonyl-6-chloranyl-2-fluoranyl-cyclohexyl)phenoxy]ethanoate Openeye Name: pentyl 2-[3-(2,3-dicarbamoyl-6-chloro-2-fluoro-cyclohexyl)phenoxy]acetate CAS Name: 2-[3-(2,3-dicarbamoyl-6-chloro-2-fluorocyclohexyl)phenoxy]acetic acid pentyl ester IUPAC Name: pentyl 2-[3-(2,3-dicarbamoyl-6-chloro-2-fluorocyclohexyl)phenoxy]acetate Traditional Name: 2-[3-(2,3-dicarbamoyl-6-chloro-2-fluoro-cyclohexyl)phenoxy]acetic acid amyl ester Formula: C21H28ClFN2O5 MolecularWeight: 442.908823

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)COC1=CC=CC(=C1)C2C(CCC(C2(C(=O)N)F)C(=O)N)Cl

Isomeric SMILES

CCCCCOC(=O)COC1=CC=CC(=C1)C2C(CCC(C2(C(=O)N)F)C(=O)N)Cl

InChI

InChI=1S/C21H28ClFN2O5/c1-2-3-4-10-29-17(26)12-30-14-7-5-6-13(11-14)18-16(22)9-8-15(19(24)27)21(18,23)20(25)28/h5-7,11,15-16,18H,2-4,8-10,12H2,1H3,(H2,24,27)(H2,25,28)