4-[(1R,3R)-3-chloranyl-3-(4-methylphenyl)-1-oxidanyl-propyl]benzenecarbonitrile

Systemtic Name: 4-[(1R,3R)-3-chloranyl-3-(4-methylphenyl)-1-oxidanyl-propyl]benzenecarbonitrile Openeye Name: 4-[(1R,3R)-3-chloro-1-hydroxy-3-(p-tolyl)propyl]benzonitrile CAS Name: 4-[(1R,3R)-3-chloro-1-hydroxy-3-(4-methylphenyl)propyl]benzonitrile IUPAC Name: 4-[(1R,3R)-3-chloro-1-hydroxy-3-(4-methylphenyl)propyl]benzonitrile Traditional Name: 4-[(1R,3R)-3-chloro-1-hydroxy-3-(p-tolyl)propyl]benzonitrile Formula: C17H16ClNO MolecularWeight: 285.76804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(C2=CC=C(C=C2)C#N)O)Cl

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](C[C@H](C2=CC=C(C=C2)C#N)O)Cl

InChI

InChI=1S/C17H16ClNO/c1-12-2-6-14(7-3-12)16(18)10-17(20)15-8-4-13(11-19)5-9-15/h2-9,16-17,20H,10H2,1H3/t16-,17-/m1/s1