7-[4-[3,5-bis(chloranyl)phenyl]-6-ethyl-2-methyl-3-phenylmethoxy-phenoxy]-2-methyl-heptanenitrile

Systemtic Name: 7-[4-[3,5-bis(chloranyl)phenyl]-6-ethyl-2-methyl-3-phenylmethoxy-phenoxy]-2-methyl-heptanenitrile Openeye Name: 7-[3-benzyloxy-4-(3,5-dichlorophenyl)-6-ethyl-2-methyl-phenoxy]-2-methyl-heptanenitrile CAS Name: 7-[4-(3,5-dichlorophenyl)-6-ethyl-2-methyl-3-phenylmethoxyphenoxy]-2-methylheptanenitrile IUPAC Name: 7-[4-(3,5-dichlorophenyl)-6-ethyl-2-methyl-3-phenylmethoxyphenoxy]-2-methylheptanenitrile Traditional Name: 7-[3-benzoxy-4-(3,5-dichlorophenyl)-6-ethyl-2-methyl-phenoxy]-2-methyl-enanthonitrile Formula: C30H33Cl2NO2 MolecularWeight: 510.49452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H33Cl2NO2/c1-4-24-17-28(25-15-26(31)18-27(32)16-25)30(35-20-23-12-8-5-9-13-23)22(3)29(24)34-14-10-6-7-11-21(2)19-33/h5,8-9,12-13,15-18,21H,4,6-7,10-11,14,20H2,1-3H3