5-(4-octylphenyl)-2-propoxy-benzenecarbonitrile

Systemtic Name: 5-(4-octylphenyl)-2-propoxy-benzenecarbonitrile Openeye Name: 5-(4-octylphenyl)-2-propoxy-benzonitrile CAS Name: 5-(4-octylphenyl)-2-propoxybenzonitrile IUPAC Name: 5-(4-octylphenyl)-2-propoxybenzonitrile Traditional Name: 5-(4-octylphenyl)-2-propoxy-benzonitrile Formula: C24H31NO MolecularWeight: 349.50904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC(=C(C=C2)OCCC)C#N

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC(=C(C=C2)OCCC)C#N

InChI

InChI=1S/C24H31NO/c1-3-5-6-7-8-9-10-20-11-13-21(14-12-20)22-15-16-24(26-17-4-2)23(18-22)19-25/h11-16,18H,3-10,17H2,1-2H3