(2S)-N-(cyanomethyl)-4-methyl-2-[phenyl-(4-pyridin-2-ylphenyl)methoxy]pentanamide

Systemtic Name: (2S)-N-(cyanomethyl)-4-methyl-2-[phenyl-(4-pyridin-2-ylphenyl)methoxy]pentanamide Openeye Name: (2S)-N-(cyanomethyl)-4-methyl-2-[phenyl-[4-(2-pyridyl)phenyl]methoxy]pentanamide CAS Name: (2S)-N-(cyanomethyl)-4-methyl-2-[phenyl-[4-(2-pyridinyl)phenyl]methoxy]pentanamide IUPAC Name: (2S)-N-(cyanomethyl)-4-methyl-2-[phenyl-(4-pyridin-2-ylphenyl)methoxy]pentanamide Traditional Name: (2S)-N-(cyanomethyl)-4-methyl-2-[phenyl-[4-(2-pyridyl)phenyl]methoxy]valeramide Formula: C26H27N3O2 MolecularWeight: 413.51148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)OC(C1=CC=CC=C1)C2=CC=C(C=C2)C3=CC=CC=N3

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC#N)OC(C1=CC=CC=C1)C2=CC=C(C=C2)C3=CC=CC=N3

InChI

InChI=1S/C26H27N3O2/c1-19(2)18-24(26(30)29-17-15-27)31-25(21-8-4-3-5-9-21)22-13-11-20(12-14-22)23-10-6-7-16-28-23/h3-14,16,19,24-25H,17-18H2,1-2H3,(H,29,30)/t24-,25?/m0/s1