7-[4-(4-chlorophenyl)-6-ethyl-2-methyl-3-oxidanyl-phenoxy]-2-methyl-heptanenitrile

Systemtic Name: 7-[4-(4-chlorophenyl)-6-ethyl-2-methyl-3-oxidanyl-phenoxy]-2-methyl-heptanenitrile Openeye Name: 7-[4-(4-chlorophenyl)-6-ethyl-3-hydroxy-2-methyl-phenoxy]-2-methyl-heptanenitrile CAS Name: 7-[4-(4-chlorophenyl)-6-ethyl-3-hydroxy-2-methylphenoxy]-2-methylheptanenitrile IUPAC Name: 7-[4-(4-chlorophenyl)-6-ethyl-3-hydroxy-2-methylphenoxy]-2-methylheptanenitrile Traditional Name: 7-[4-(4-chlorophenyl)-6-ethyl-3-hydroxy-2-methyl-phenoxy]-2-methyl-enanthonitrile Formula: C23H28ClNO2 MolecularWeight: 385.92692

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C(=C1)C2=CC=C(C=C2)Cl)O)C)OCCCCCC(C)C#N

Isomeric SMILES

CCC1=C(C(=C(C(=C1)C2=CC=C(C=C2)Cl)O)C)OCCCCCC(C)C#N

InChI

InChI=1S/C23H28ClNO2/c1-4-18-14-21(19-9-11-20(24)12-10-19)22(26)17(3)23(18)27-13-7-5-6-8-16(2)15-25/h9-12,14,16,26H,4-8,13H2,1-3H3