1-[4-[5-(4-butylphenyl)pyridin-2-yl]phenoxy]propan-2-yl pentanoate

Systemtic Name: 1-[4-[5-(4-butylphenyl)pyridin-2-yl]phenoxy]propan-2-yl pentanoate Openeye Name: [2-[4-[5-(4-butylphenyl)-2-pyridyl]phenoxy]-1-methyl-ethyl] pentanoate CAS Name: pentanoic acid 1-[4-[5-(4-butylphenyl)-2-pyridinyl]phenoxy]propan-2-yl ester IUPAC Name: 1-[4-[5-(4-butylphenyl)pyridin-2-yl]phenoxy]propan-2-yl pentanoate Traditional Name: valeric acid [2-[4-[5-(4-butylphenyl)-2-pyridyl]phenoxy]-1-methyl-ethyl] ester Formula: C29H35NO3 MolecularWeight: 445.5931

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CN=C(C=C2)C3=CC=C(C=C3)OCC(C)OC(=O)CCCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CN=C(C=C2)C3=CC=C(C=C3)OCC(C)OC(=O)CCCC

InChI

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