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

Systemtic Name: 7-[4-(4-chlorophenyl)-6-ethyl-2-methyl-3-phenylmethoxy-phenoxy]-2-methyl-heptanenitrile Openeye Name: 7-[3-benzyloxy-4-(4-chlorophenyl)-6-ethyl-2-methyl-phenoxy]-2-methyl-heptanenitrile CAS Name: 7-[4-(4-chlorophenyl)-6-ethyl-2-methyl-3-phenylmethoxyphenoxy]-2-methylheptanenitrile IUPAC Name: 7-[4-(4-chlorophenyl)-6-ethyl-2-methyl-3-phenylmethoxyphenoxy]-2-methylheptanenitrile Traditional Name: 7-[3-benzoxy-4-(4-chlorophenyl)-6-ethyl-2-methyl-phenoxy]-2-methyl-enanthonitrile Formula: C30H34ClNO2 MolecularWeight: 476.04946

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C(=C1)C2=CC=C(C=C2)Cl)OCC3=CC=CC=C3)C)OCCCCCC(C)C#N

Isomeric SMILES

CCC1=C(C(=C(C(=C1)C2=CC=C(C=C2)Cl)OCC3=CC=CC=C3)C)OCCCCCC(C)C#N

InChI

InChI=1S/C30H34ClNO2/c1-4-25-19-28(26-14-16-27(31)17-15-26)30(34-21-24-12-8-5-9-13-24)23(3)29(25)33-18-10-6-7-11-22(2)20-32/h5,8-9,12-17,19,22H,4,6-7,10-11,18,21H2,1-3H3