methyl (2S)-1-cyclohexylcarbonyl-4-(3-fluorophenyl)carbonyl-piperazine-2-carboxylate

Systemtic Name: methyl (2S)-1-cyclohexylcarbonyl-4-(3-fluorophenyl)carbonyl-piperazine-2-carboxylate Openeye Name: methyl (2S)-1-(cyclohexanecarbonyl)-4-(3-fluorobenzoyl)piperazine-2-carboxylate CAS Name: (2S)-1-[cyclohexyl(oxo)methyl]-4-[(3-fluorophenyl)-oxomethyl]-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-(cyclohexanecarbonyl)-4-(3-fluorobenzoyl)piperazine-2-carboxylate Traditional Name: (2S)-1-(cyclohexanecarbonyl)-4-(3-fluorobenzoyl)piperazine-2-carboxylic acid methyl ester Formula: C20H25FN2O4 MolecularWeight: 376.421903

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCN1C(=O)C2CCCCC2)C(=O)C3=CC(=CC=C3)F

Isomeric SMILES

COC(=O)[C@@H]1CN(CCN1C(=O)C2CCCCC2)C(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C20H25FN2O4/c1-27-20(26)17-13-22(18(24)15-8-5-9-16(21)12-15)10-11-23(17)19(25)14-6-3-2-4-7-14/h5,8-9,12,14,17H,2-4,6-7,10-11,13H2,1H3/t17-/m0/s1