(2S)-N-(cyanomethyl)-2-[(R)-(4-ethynylphenyl)-phenyl-methoxy]-4-methyl-pentanamide

Systemtic Name: (2S)-N-(cyanomethyl)-2-[(R)-(4-ethynylphenyl)-phenyl-methoxy]-4-methyl-pentanamide Openeye Name: (2S)-N-(cyanomethyl)-2-[(R)-(4-ethynylphenyl)-phenyl-methoxy]-4-methyl-pentanamide CAS Name: (2S)-N-(cyanomethyl)-2-[(R)-(4-ethynylphenyl)-phenylmethoxy]-4-methylpentanamide IUPAC Name: (2S)-N-(cyanomethyl)-2-[(R)-(4-ethynylphenyl)-phenylmethoxy]-4-methylpentanamide Traditional Name: (2S)-N-(cyanomethyl)-2-[(R)-(4-ethynylphenyl)-phenyl-methoxy]-4-methyl-valeramide Formula: C23H24N2O2 MolecularWeight: 360.44886

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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)C#C

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O2/c1-4-18-10-12-20(13-11-18)22(19-8-6-5-7-9-19)27-21(16-17(2)3)23(26)25-15-14-24/h1,5-13,17,21-22H,15-16H2,2-3H3,(H,25,26)/t21-,22+/m0/s1