[2-(5-octylpyrimidin-2-yl)phenyl] 4-decylbenzoate

Systemtic Name: [2-(5-octylpyrimidin-2-yl)phenyl] 4-decylbenzoate Openeye Name: [2-(5-octylpyrimidin-2-yl)phenyl] 4-decylbenzoate CAS Name: 4-decylbenzoic acid [2-(5-octyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [2-(5-octylpyrimidin-2-yl)phenyl] 4-decylbenzoate Traditional Name: 4-decylbenzoic acid [2-(5-octylpyrimidin-2-yl)phenyl] ester Formula: C35H48N2O2 MolecularWeight: 528.76782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2C3=NC=C(C=N3)CCCCCCCC

Isomeric SMILES

CCCCCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2C3=NC=C(C=N3)CCCCCCCC

InChI

InChI=1S/C35H48N2O2/c1-3-5-7-9-11-12-14-15-19-29-23-25-31(26-24-29)35(38)39-33-22-18-17-21-32(33)34-36-27-30(28-37-34)20-16-13-10-8-6-4-2/h17-18,21-28H,3-16,19-20H2,1-2H3