[5-(4-nonylphenyl)pyrimidin-2-yl] 4-heptylbenzoate

Systemtic Name: [5-(4-nonylphenyl)pyrimidin-2-yl] 4-heptylbenzoate Openeye Name: [5-(4-nonylphenyl)pyrimidin-2-yl] 4-heptylbenzoate CAS Name: 4-heptylbenzoic acid [5-(4-nonylphenyl)-2-pyrimidinyl] ester IUPAC Name: [5-(4-nonylphenyl)pyrimidin-2-yl] 4-heptylbenzoate Traditional Name: 4-heptylbenzoic acid [5-(4-nonylphenyl)pyrimidin-2-yl] ester Formula: C33H44N2O2 MolecularWeight: 500.71466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)OC(=O)C3=CC=C(C=C3)CCCCCCC

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)OC(=O)C3=CC=C(C=C3)CCCCCCC

InChI

InChI=1S/C33H44N2O2/c1-3-5-7-9-10-12-14-16-27-17-21-29(22-18-27)31-25-34-33(35-26-31)37-32(36)30-23-19-28(20-24-30)15-13-11-8-6-4-2/h17-26H,3-16H2,1-2H3