2-[2-bromanyl-4-[(cyclooctylamino)methyl]-6-methoxy-phenoxy]ethanenitrile

Systemtic Name: 2-[2-bromanyl-4-[(cyclooctylamino)methyl]-6-methoxy-phenoxy]ethanenitrile Openeye Name: 2-[2-bromo-4-[(cyclooctylamino)methyl]-6-methoxy-phenoxy]acetonitrile CAS Name: 2-[2-bromo-4-[(cyclooctylamino)methyl]-6-methoxyphenoxy]acetonitrile IUPAC Name: 2-[2-bromo-4-[(cyclooctylamino)methyl]-6-methoxyphenoxy]acetonitrile Traditional Name: 2-[2-bromo-4-[(cyclooctylamino)methyl]-6-methoxy-phenoxy]acetonitrile Formula: C18H25BrN2O2 MolecularWeight: 381.3073

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNC2CCCCCCC2)Br)OCC#N

Isomeric SMILES

COC1=C(C(=CC(=C1)CNC2CCCCCCC2)Br)OCC#N

InChI

InChI=1S/C18H25BrN2O2/c1-22-17-12-14(11-16(19)18(17)23-10-9-20)13-21-15-7-5-3-2-4-6-8-15/h11-12,15,21H,2-8,10,13H2,1H3