(2S)-N-(cyanomethyl)-2-[cyclohexyl-(4-fluorophenyl)methoxy]-4-methyl-pentanamide

Systemtic Name: (2S)-N-(cyanomethyl)-2-[cyclohexyl-(4-fluorophenyl)methoxy]-4-methyl-pentanamide Openeye Name: (2S)-N-(cyanomethyl)-2-[cyclohexyl-(4-fluorophenyl)methoxy]-4-methyl-pentanamide CAS Name: (2S)-N-(cyanomethyl)-2-[cyclohexyl-(4-fluorophenyl)methoxy]-4-methylpentanamide IUPAC Name: (2S)-N-(cyanomethyl)-2-[cyclohexyl-(4-fluorophenyl)methoxy]-4-methylpentanamide Traditional Name: (2S)-N-(cyanomethyl)-2-[cyclohexyl-(4-fluorophenyl)methoxy]-4-methyl-valeramide Formula: C21H29FN2O2 MolecularWeight: 360.465563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)OC(C1CCCCC1)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC#N)OC(C1CCCCC1)C2=CC=C(C=C2)F

InChI

InChI=1S/C21H29FN2O2/c1-15(2)14-19(21(25)24-13-12-23)26-20(16-6-4-3-5-7-16)17-8-10-18(22)11-9-17/h8-11,15-16,19-20H,3-7,13-14H2,1-2H3,(H,24,25)/t19-,20?/m0/s1