4-[(3R,4S)-4-(4-hydroxyphenyl)hexan-3-yl]benzenecarbonitrile

Systemtic Name: 4-[(3R,4S)-4-(4-hydroxyphenyl)hexan-3-yl]benzenecarbonitrile Openeye Name: 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]benzonitrile CAS Name: 4-[(3R,4S)-4-(4-hydroxyphenyl)hexan-3-yl]benzonitrile IUPAC Name: 4-[(3R,4S)-4-(4-hydroxyphenyl)hexan-3-yl]benzonitrile Traditional Name: 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]benzonitrile Formula: C19H21NO MolecularWeight: 279.37614

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)C#N)C(CC)C2=CC=C(C=C2)O

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO/c1-3-18(15-7-5-14(13-20)6-8-15)19(4-2)16-9-11-17(21)12-10-16/h5-12,18-19,21H,3-4H2,1-2H3/t18-,19+/m0/s1