7-[2-(4-dodecoxyphenyl)pyrimidin-5-yl]heptanoic acid

Systemtic Name: 7-[2-(4-dodecoxyphenyl)pyrimidin-5-yl]heptanoic acid Openeye Name: 7-[2-(4-dodecoxyphenyl)pyrimidin-5-yl]heptanoic acid CAS Name: 7-[2-(4-dodecoxyphenyl)-5-pyrimidinyl]heptanoic acid IUPAC Name: 7-[2-(4-dodecoxyphenyl)pyrimidin-5-yl]heptanoic acid Traditional Name: 7-[2-(4-lauryloxyphenyl)pyrimidin-5-yl]enanthic acid Formula: C29H44N2O3 MolecularWeight: 468.67126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)CCCCCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)CCCCCCC(=O)O

InChI

InChI=1S/C29H44N2O3/c1-2-3-4-5-6-7-8-9-12-15-22-34-27-20-18-26(19-21-27)29-30-23-25(24-31-29)16-13-10-11-14-17-28(32)33/h18-21,23-24H,2-17,22H2,1H3,(H,32,33)