octyl 4-[[4-(5-pentylpyrimidin-2-yl)phenoxy]methyl]benzoate

Systemtic Name: octyl 4-[[4-(5-pentylpyrimidin-2-yl)phenoxy]methyl]benzoate Openeye Name: octyl 4-[[4-(5-pentylpyrimidin-2-yl)phenoxy]methyl]benzoate CAS Name: 4-[[4-(5-pentyl-2-pyrimidinyl)phenoxy]methyl]benzoic acid octyl ester IUPAC Name: octyl 4-[[4-(5-pentylpyrimidin-2-yl)phenoxy]methyl]benzoate Traditional Name: 4-[[4-(5-amylpyrimidin-2-yl)phenoxy]methyl]benzoic acid octyl ester Formula: C31H40N2O3 MolecularWeight: 488.6609

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCC

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCC

InChI

InChI=1S/C31H40N2O3/c1-3-5-7-8-9-11-21-35-31(34)28-15-13-25(14-16-28)24-36-29-19-17-27(18-20-29)30-32-22-26(23-33-30)12-10-6-4-2/h13-20,22-23H,3-12,21,24H2,1-2H3