[4-[6-(4-hexylphenyl)pyridin-3-yl]phenyl] 2-propoxypropanoate

Systemtic Name: [4-[6-(4-hexylphenyl)pyridin-3-yl]phenyl] 2-propoxypropanoate Openeye Name: [4-[6-(4-hexylphenyl)-3-pyridyl]phenyl] 2-propoxypropanoate CAS Name: 2-propoxypropanoic acid [4-[6-(4-hexylphenyl)-3-pyridinyl]phenyl] ester IUPAC Name: [4-[6-(4-hexylphenyl)pyridin-3-yl]phenyl] 2-propoxypropanoate Traditional Name: 2-propoxypropionic acid [4-[6-(4-hexylphenyl)-3-pyridyl]phenyl] ester Formula: C29H35NO3 MolecularWeight: 445.5931

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=NC=C(C=C2)C3=CC=C(C=C3)OC(=O)C(C)OCCC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=NC=C(C=C2)C3=CC=C(C=C3)OC(=O)C(C)OCCC

InChI

InChI=1S/C29H35NO3/c1-4-6-7-8-9-23-10-12-25(13-11-23)28-19-16-26(21-30-28)24-14-17-27(18-15-24)33-29(31)22(3)32-20-5-2/h10-19,21-22H,4-9,20H2,1-3H3