methyl 2-[4-[(4-bromanyl-2-fluoranyl-phenyl)carbonyl-cyclopropyl-amino]cyclohexyl]ethanoate

Systemtic Name: methyl 2-[4-[(4-bromanyl-2-fluoranyl-phenyl)carbonyl-cyclopropyl-amino]cyclohexyl]ethanoate Openeye Name: methyl 2-[4-[(4-bromo-2-fluoro-benzoyl)-cyclopropyl-amino]cyclohexyl]acetate CAS Name: 2-[4-[[(4-bromo-2-fluorophenyl)-oxomethyl]-cyclopropylamino]cyclohexyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[(4-bromo-2-fluorobenzoyl)-cyclopropylamino]cyclohexyl]acetate Traditional Name: 2-[4-[(4-bromo-2-fluoro-benzoyl)-cyclopropyl-amino]cyclohexyl]acetic acid methyl ester Formula: C19H23BrFNO3 MolecularWeight: 412.293223

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CCC(CC1)N(C2CC2)C(=O)C3=C(C=C(C=C3)Br)F

Isomeric SMILES

COC(=O)CC1CCC(CC1)N(C2CC2)C(=O)C3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C19H23BrFNO3/c1-25-18(23)10-12-2-5-14(6-3-12)22(15-7-8-15)19(24)16-9-4-13(20)11-17(16)21/h4,9,11-12,14-15H,2-3,5-8,10H2,1H3