6-[4-[2-(4-heptoxyphenyl)ethyl]phenyl]pyridine-3-carbonitrile

Systemtic Name: 6-[4-[2-(4-heptoxyphenyl)ethyl]phenyl]pyridine-3-carbonitrile Openeye Name: 6-[4-[2-(4-heptoxyphenyl)ethyl]phenyl]pyridine-3-carbonitrile CAS Name: 6-[4-[2-(4-heptoxyphenyl)ethyl]phenyl]-3-pyridinecarbonitrile IUPAC Name: 6-[4-[2-(4-heptoxyphenyl)ethyl]phenyl]pyridine-3-carbonitrile Traditional Name: 6-[4-[2-(4-heptoxyphenyl)ethyl]phenyl]nicotinonitrile Formula: C27H30N2O MolecularWeight: 398.5399

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)CCC2=CC=C(C=C2)C3=NC=C(C=C3)C#N

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)CCC2=CC=C(C=C2)C3=NC=C(C=C3)C#N

InChI

InChI=1S/C27H30N2O/c1-2-3-4-5-6-19-30-26-16-11-23(12-17-26)8-7-22-9-14-25(15-10-22)27-18-13-24(20-28)21-29-27/h9-18,21H,2-8,19H2,1H3