phenyl 4-decyl-2-(5-octylpyrimidin-2-yl)benzoate

Systemtic Name: phenyl 4-decyl-2-(5-octylpyrimidin-2-yl)benzoate Openeye Name: phenyl 4-decyl-2-(5-octylpyrimidin-2-yl)benzoate CAS Name: 4-decyl-2-(5-octyl-2-pyrimidinyl)benzoic acid phenyl ester IUPAC Name: phenyl 4-decyl-2-(5-octylpyrimidin-2-yl)benzoate Traditional Name: 4-decyl-2-(5-octylpyrimidin-2-yl)benzoic acid 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=C2)C3=NC=C(C=N3)CCCCCCCC

Isomeric SMILES

CCCCCCCCCCC1=CC(=C(C=C1)C(=O)OC2=CC=CC=C2)C3=NC=C(C=N3)CCCCCCCC

InChI

InChI=1S/C35H48N2O2/c1-3-5-7-9-11-12-14-16-20-29-24-25-32(35(38)39-31-22-18-15-19-23-31)33(26-29)34-36-27-30(28-37-34)21-17-13-10-8-6-4-2/h15,18-19,22-28H,3-14,16-17,20-21H2,1-2H3