4-[3-(hydroxymethyl)pentan-3-yl]benzenecarbonitrile

Systemtic Name: 4-[3-(hydroxymethyl)pentan-3-yl]benzenecarbonitrile Openeye Name: 4-[1-ethyl-1-(hydroxymethyl)propyl]benzonitrile CAS Name: 4-[3-(hydroxymethyl)pentan-3-yl]benzonitrile IUPAC Name: 4-[3-(hydroxymethyl)pentan-3-yl]benzonitrile Traditional Name: 4-(1-ethyl-1-methylol-propyl)benzonitrile Formula: C13H17NO MolecularWeight: 203.28018

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CO)C1=CC=C(C=C1)C#N

Isomeric SMILES

CCC(CC)(CO)C1=CC=C(C=C1)C#N

InChI

InChI=1S/C13H17NO/c1-3-13(4-2,10-15)12-7-5-11(9-14)6-8-12/h5-8,15H,3-4,10H2,1-2H3