[(2S)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 4-chloranyl-2-fluoranyl-benzoate

Systemtic Name: [(2S)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 4-chloranyl-2-fluoranyl-benzoate Openeye Name: [(1S)-2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] 4-chloro-2-fluoro-benzoate CAS Name: 4-chloro-2-fluorobenzoic acid [(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 4-chloro-2-fluorobenzoate Traditional Name: 4-chloro-2-fluoro-benzoic acid [(1S)-2-(cycloheptylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H21ClFNO3 MolecularWeight: 341.804943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)OC(=O)C2=C(C=C(C=C2)Cl)F

Isomeric SMILES

C[C@@H](C(=O)NC1CCCCCC1)OC(=O)C2=C(C=C(C=C2)Cl)F

InChI

InChI=1S/C17H21ClFNO3/c1-11(16(21)20-13-6-4-2-3-5-7-13)23-17(22)14-9-8-12(18)10-15(14)19/h8-11,13H,2-7H2,1H3,(H,20,21)/t11-/m0/s1