(3R,4S)-4-(5-methylfuran-2-yl)-3-oxidanyl-pentanenitrile

Systemtic Name: (3R,4S)-4-(5-methylfuran-2-yl)-3-oxidanyl-pentanenitrile Openeye Name: (3R,4S)-3-hydroxy-4-(5-methyl-2-furyl)pentanenitrile CAS Name: (3R,4S)-3-hydroxy-4-(5-methyl-2-furanyl)pentanenitrile IUPAC Name: (3R,4S)-3-hydroxy-4-(5-methylfuran-2-yl)pentanenitrile Traditional Name: (3R,4S)-3-hydroxy-4-(5-methyl-2-furyl)valeronitrile Formula: C10H13NO2 MolecularWeight: 179.21572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(C)C(CC#N)O

Isomeric SMILES

CC1=CC=C(O1)[C@@H](C)[C@@H](CC#N)O

InChI

InChI=1S/C10H13NO2/c1-7-3-4-10(13-7)8(2)9(12)5-6-11/h3-4,8-9,12H,5H2,1-2H3/t8-,9+/m0/s1