(2S)-N-(cyanomethyl)-4-methyl-2-[phenyl-(4-pyridin-3-ylphenyl)methoxy]pentanamide

Systemtic Name: (2S)-N-(cyanomethyl)-4-methyl-2-[phenyl-(4-pyridin-3-ylphenyl)methoxy]pentanamide Openeye Name: (2S)-N-(cyanomethyl)-4-methyl-2-[phenyl-[4-(3-pyridyl)phenyl]methoxy]pentanamide CAS Name: (2S)-N-(cyanomethyl)-4-methyl-2-[phenyl-[4-(3-pyridinyl)phenyl]methoxy]pentanamide IUPAC Name: (2S)-N-(cyanomethyl)-4-methyl-2-[phenyl-(4-pyridin-3-ylphenyl)methoxy]pentanamide Traditional Name: (2S)-N-(cyanomethyl)-4-methyl-2-[phenyl-[4-(3-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=CN=CC=C3

Isomeric SMILES

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

InChI

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