4-[4-[[(3-chloranyl-5-methyl-4-oxidanyl-phenyl)amino]methyl]phenyl]-2-ethyl-hexanenitrile

Systemtic Name: 4-[4-[[(3-chloranyl-5-methyl-4-oxidanyl-phenyl)amino]methyl]phenyl]-2-ethyl-hexanenitrile Openeye Name: 4-[4-[(3-chloro-4-hydroxy-5-methyl-anilino)methyl]phenyl]-2-ethyl-hexanenitrile CAS Name: 4-[4-[(3-chloro-4-hydroxy-5-methylanilino)methyl]phenyl]-2-ethylhexanenitrile IUPAC Name: 4-[4-[(3-chloro-4-hydroxy-5-methylanilino)methyl]phenyl]-2-ethylhexanenitrile Traditional Name: 4-[4-[(3-chloro-4-hydroxy-5-methyl-anilino)methyl]phenyl]-2-ethyl-hexanenitrile Formula: C22H27ClN2O MolecularWeight: 370.91558

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(CC)C1=CC=C(C=C1)CNC2=CC(=C(C(=C2)C)O)Cl)C#N

Isomeric SMILES

CCC(CC(CC)C1=CC=C(C=C1)CNC2=CC(=C(C(=C2)C)O)Cl)C#N

InChI

InChI=1S/C22H27ClN2O/c1-4-16(13-24)11-18(5-2)19-8-6-17(7-9-19)14-25-20-10-15(3)22(26)21(23)12-20/h6-10,12,16,18,25-26H,4-5,11,14H2,1-3H3