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[6-[2-(4-cyanophenyl)ethyl]pyridin-3-yl] 4-octylbenzoate

[6-[2-(4-cyanophenyl)ethyl]pyridin-3-yl] 4-octylbenzoate

Systemtic Name:[6-[2-(4-cyanophenyl)ethyl]pyridin-3-yl] 4-octylbenzoate
Openeye Name:[6-[2-(4-cyanophenyl)ethyl]-3-pyridyl] 4-octylbenzoate
CAS Name:4-octylbenzoic acid [6-[2-(4-cyanophenyl)ethyl]-3-pyridinyl] ester
IUPAC Name:[6-[2-(4-cyanophenyl)ethyl]pyridin-3-yl] 4-octylbenzoate
Traditional Name:4-octylbenzoic acid [6-[2-(4-cyanophenyl)ethyl]-3-pyridyl] ester
Formula: C29H32N2O2
MolecularWeight: 440.57658
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C(=O)OC2=CN=C(C=C2)CCC3=CC=C(C=C3)C#N


Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C(=O)OC2=CN=C(C=C2)CCC3=CC=C(C=C3)C#N


InChI

InChI=1S/C29H32N2O2/c1-2-3-4-5-6-7-8-23-13-16-26(17-14-23)29(32)33-28-20-19-27(31-22-28)18-15-24-9-11-25(21-30)12-10-24/h9-14,16-17,19-20,22H,2-8,15,18H2,1H3


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