6-[1-[2-[4-(4-heptylphenyl)phenyl]pyrimidin-5-yl]cyclopentyl]hexanoate

Systemtic Name: 6-[1-[2-[4-(4-heptylphenyl)phenyl]pyrimidin-5-yl]cyclopentyl]hexanoate Openeye Name: 6-[1-[2-[4-(4-heptylphenyl)phenyl]pyrimidin-5-yl]cyclopentyl]hexanoate CAS Name: 6-[1-[2-[4-(4-heptylphenyl)phenyl]-5-pyrimidinyl]cyclopentyl]hexanoate IUPAC Name: 6-[1-[2-[4-(4-heptylphenyl)phenyl]pyrimidin-5-yl]cyclopentyl]hexanoate Traditional Name: 6-[1-[2-[4-(4-heptylphenyl)phenyl]pyrimidin-5-yl]cyclopentyl]hexanoate Formula: C34H43N2O2- MolecularWeight: 511.71742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)C4(CCCC4)CCCCCC(=O)[O-]

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)C4(CCCC4)CCCCCC(=O)[O-]

InChI

InChI=1S/C34H44N2O2/c1-2-3-4-5-7-12-27-14-16-28(17-15-27)29-18-20-30(21-19-29)33-35-25-31(26-36-33)34(23-10-11-24-34)22-9-6-8-13-32(37)38/h14-21,25-26H,2-13,22-24H2,1H3,(H,37,38)/p-1