2-acetamido-N-[(2S)-4,4-dicyano-3-oxidanyl-1-phenyl-but-3-en-2-yl]-4-methyl-pentanamide

Systemtic Name: 2-acetamido-N-[(2S)-4,4-dicyano-3-oxidanyl-1-phenyl-but-3-en-2-yl]-4-methyl-pentanamide Openeye Name: 2-acetamido-N-[(1S)-1-benzyl-3,3-dicyano-2-hydroxy-allyl]-4-methyl-pentanamide CAS Name: 2-acetamido-N-[(2S)-4,4-dicyano-3-hydroxy-1-phenylbut-3-en-2-yl]-4-methylpentanamide IUPAC Name: 2-acetamido-N-[(2S)-4,4-dicyano-3-hydroxy-1-phenylbut-3-en-2-yl]-4-methylpentanamide Traditional Name: 2-acetamido-N-[(1S)-1-benzyl-3,3-dicyano-2-hydroxy-allyl]-4-methyl-valeramide Formula: C20H24N4O3 MolecularWeight: 368.42956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=C(C#N)C#N)O)NC(=O)C

Isomeric SMILES

CC(C)CC(C(=O)N[C@@H](CC1=CC=CC=C1)C(=C(C#N)C#N)O)NC(=O)C

InChI

InChI=1S/C20H24N4O3/c1-13(2)9-18(23-14(3)25)20(27)24-17(19(26)16(11-21)12-22)10-15-7-5-4-6-8-15/h4-8,13,17-18,26H,9-10H2,1-3H3,(H,23,25)(H,24,27)/t17-,18?/m0/s1