9-[1-[4-[4-(5-heptylpyrimidin-2-yl)phenyl]phenyl]cyclopentyl]nonanoic acid

Systemtic Name: 9-[1-[4-[4-(5-heptylpyrimidin-2-yl)phenyl]phenyl]cyclopentyl]nonanoic acid Openeye Name: 9-[1-[4-[4-(5-heptylpyrimidin-2-yl)phenyl]phenyl]cyclopentyl]nonanoic acid CAS Name: 9-[1-[4-[4-(5-heptyl-2-pyrimidinyl)phenyl]phenyl]cyclopentyl]nonanoic acid IUPAC Name: 9-[1-[4-[4-(5-heptylpyrimidin-2-yl)phenyl]phenyl]cyclopentyl]nonanoic acid Traditional Name: 9-[1-[4-[4-(5-heptylpyrimidin-2-yl)phenyl]phenyl]cyclopentyl]pelargonic acid Formula: C37H50N2O2 MolecularWeight: 554.8051

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4(CCCC4)CCCCCCCCC(=O)O

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4(CCCC4)CCCCCCCCC(=O)O

InChI

InChI=1S/C37H50N2O2/c1-2-3-4-7-10-15-30-28-38-36(39-29-30)33-19-17-31(18-20-33)32-21-23-34(24-22-32)37(26-13-14-27-37)25-12-9-6-5-8-11-16-35(40)41/h17-24,28-29H,2-16,25-27H2,1H3,(H,40,41)