octan-2-yl 4-[[4-(5-nonylpyrimidin-2-yl)phenoxy]methyl]benzoate

Systemtic Name: octan-2-yl 4-[[4-(5-nonylpyrimidin-2-yl)phenoxy]methyl]benzoate Openeye Name: 1-methylheptyl 4-[[4-(5-nonylpyrimidin-2-yl)phenoxy]methyl]benzoate CAS Name: 4-[[4-(5-nonyl-2-pyrimidinyl)phenoxy]methyl]benzoic acid octan-2-yl ester IUPAC Name: octan-2-yl 4-[[4-(5-nonylpyrimidin-2-yl)phenoxy]methyl]benzoate Traditional Name: 4-[[4-(5-nonylpyrimidin-2-yl)phenoxy]methyl]benzoic acid 1-methylheptyl ester Formula: C35H48N2O3 MolecularWeight: 544.76722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)C(=O)OC(C)CCCCCC

Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)C(=O)OC(C)CCCCCC

InChI

InChI=1S/C35H48N2O3/c1-4-6-8-10-11-12-14-16-30-25-36-34(37-26-30)31-21-23-33(24-22-31)39-27-29-17-19-32(20-18-29)35(38)40-28(3)15-13-9-7-5-2/h17-26,28H,4-16,27H2,1-3H3