9-[1-[2-[4-(4-hexylphenyl)phenyl]pyrimidin-5-yl]cyclopentyl]nonanoate

Systemtic Name: 9-[1-[2-[4-(4-hexylphenyl)phenyl]pyrimidin-5-yl]cyclopentyl]nonanoate Openeye Name: 9-[1-[2-[4-(4-hexylphenyl)phenyl]pyrimidin-5-yl]cyclopentyl]nonanoate CAS Name: 9-[1-[2-[4-(4-hexylphenyl)phenyl]-5-pyrimidinyl]cyclopentyl]nonanoate IUPAC Name: 9-[1-[2-[4-(4-hexylphenyl)phenyl]pyrimidin-5-yl]cyclopentyl]nonanoate Traditional Name: 9-[1-[2-[4-(4-hexylphenyl)phenyl]pyrimidin-5-yl]cyclopentyl]pelargonate Formula: C36H47N2O2- MolecularWeight: 539.77058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)C4(CCCC4)CCCCCCCCC(=O)[O-]

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)C4(CCCC4)CCCCCCCCC(=O)[O-]

InChI

InChI=1S/C36H48N2O2/c1-2-3-4-9-14-29-16-18-30(19-17-29)31-20-22-32(23-21-31)35-37-27-33(28-38-35)36(25-12-13-26-36)24-11-8-6-5-7-10-15-34(39)40/h16-23,27-28H,2-15,24-26H2,1H3,(H,39,40)/p-1