[2-[4-(4-pentylphenyl)phenyl]pyrimidin-5-yl] 7-cyclopentylheptanoate

Systemtic Name: [2-[4-(4-pentylphenyl)phenyl]pyrimidin-5-yl] 7-cyclopentylheptanoate Openeye Name: [2-[4-(4-pentylphenyl)phenyl]pyrimidin-5-yl] 7-cyclopentylheptanoate CAS Name: 7-cyclopentylheptanoic acid [2-[4-(4-pentylphenyl)phenyl]-5-pyrimidinyl] ester IUPAC Name: [2-[4-(4-pentylphenyl)phenyl]pyrimidin-5-yl] 7-cyclopentylheptanoate Traditional Name: 7-cyclopentylenanthic acid [2-[4-(4-amylphenyl)phenyl]pyrimidin-5-yl] ester Formula: C33H42N2O2 MolecularWeight: 498.69878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)OC(=O)CCCCCCC4CCCC4

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)OC(=O)CCCCCCC4CCCC4

InChI

InChI=1S/C33H42N2O2/c1-2-3-6-11-27-16-18-28(19-17-27)29-20-22-30(23-21-29)33-34-24-31(25-35-33)37-32(36)15-8-5-4-7-12-26-13-9-10-14-26/h16-26H,2-15H2,1H3