1-(4-octoxyphenyl)-7-octyl-isoquinoline

Systemtic Name: 1-(4-octoxyphenyl)-7-octyl-isoquinoline Openeye Name: 1-(4-octoxyphenyl)-7-octyl-isoquinoline CAS Name: 1-(4-octoxyphenyl)-7-octylisoquinoline IUPAC Name: 1-(4-octoxyphenyl)-7-octylisoquinoline Traditional Name: 1-(4-octoxyphenyl)-7-octyl-isoquinoline Formula: C31H43NO MolecularWeight: 445.67922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC2=C(C=C1)C=CN=C2C3=CC=C(C=C3)OCCCCCCCC

Isomeric SMILES

CCCCCCCCC1=CC2=C(C=C1)C=CN=C2C3=CC=C(C=C3)OCCCCCCCC

InChI

InChI=1S/C31H43NO/c1-3-5-7-9-11-13-15-26-16-17-27-22-23-32-31(30(27)25-26)28-18-20-29(21-19-28)33-24-14-12-10-8-6-4-2/h16-23,25H,3-15,24H2,1-2H3