7-(4-bromanyl-6-ethyl-2-methyl-3-phenylmethoxy-phenoxy)-2-methyl-heptanenitrile

Systemtic Name: 7-(4-bromanyl-6-ethyl-2-methyl-3-phenylmethoxy-phenoxy)-2-methyl-heptanenitrile Openeye Name: 7-(3-benzyloxy-4-bromo-6-ethyl-2-methyl-phenoxy)-2-methyl-heptanenitrile CAS Name: 7-(4-bromo-6-ethyl-2-methyl-3-phenylmethoxyphenoxy)-2-methylheptanenitrile IUPAC Name: 7-(4-bromo-6-ethyl-2-methyl-3-phenylmethoxyphenoxy)-2-methylheptanenitrile Traditional Name: 7-(3-benzoxy-4-bromo-6-ethyl-2-methyl-phenoxy)-2-methyl-enanthonitrile Formula: C24H30BrNO2 MolecularWeight: 444.4045

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=C1OCCCCCC(C)C#N)C)OCC2=CC=CC=C2)Br

Isomeric SMILES

CCC1=CC(=C(C(=C1OCCCCCC(C)C#N)C)OCC2=CC=CC=C2)Br

InChI

InChI=1S/C24H30BrNO2/c1-4-21-15-22(25)24(28-17-20-12-8-5-9-13-20)19(3)23(21)27-14-10-6-7-11-18(2)16-26/h5,8-9,12-13,15,18H,4,6-7,10-11,14,17H2,1-3H3