4-[4-(2-octoxyphenyl)pyridin-3-yl]butan-2-yl pentanoate

Systemtic Name: 4-[4-(2-octoxyphenyl)pyridin-3-yl]butan-2-yl pentanoate Openeye Name: [1-methyl-3-[4-(2-octoxyphenyl)-3-pyridyl]propyl] pentanoate CAS Name: pentanoic acid 4-[4-(2-octoxyphenyl)-3-pyridinyl]butan-2-yl ester IUPAC Name: 4-[4-(2-octoxyphenyl)pyridin-3-yl]butan-2-yl pentanoate Traditional Name: valeric acid [1-methyl-3-[4-(2-octoxyphenyl)-3-pyridyl]propyl] ester Formula: C28H41NO3 MolecularWeight: 439.63004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=CC=C1C2=C(C=NC=C2)CCC(C)OC(=O)CCCC

Isomeric SMILES

CCCCCCCCOC1=CC=CC=C1C2=C(C=NC=C2)CCC(C)OC(=O)CCCC

InChI

InChI=1S/C28H41NO3/c1-4-6-8-9-10-13-21-31-27-15-12-11-14-26(27)25-19-20-29-22-24(25)18-17-23(3)32-28(30)16-7-5-2/h11-12,14-15,19-20,22-23H,4-10,13,16-18,21H2,1-3H3