decyl 4-[2-[4-(2,6-dimethylheptanoyloxy)phenyl]pyrimidin-5-yl]benzoate

Systemtic Name: decyl 4-[2-[4-(2,6-dimethylheptanoyloxy)phenyl]pyrimidin-5-yl]benzoate Openeye Name: decyl 4-[2-[4-(2,6-dimethylheptanoyloxy)phenyl]pyrimidin-5-yl]benzoate CAS Name: 4-[2-[4-(2,6-dimethyl-1-oxoheptoxy)phenyl]-5-pyrimidinyl]benzoic acid decyl ester IUPAC Name: decyl 4-[2-[4-(2,6-dimethylheptanoyloxy)phenyl]pyrimidin-5-yl]benzoate Traditional Name: 4-[2-[4-(2,6-dimethylheptanoyloxy)phenyl]pyrimidin-5-yl]benzoic acid decyl ester Formula: C36H48N2O4 MolecularWeight: 572.77732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)C1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C(C)CCCC(C)C

Isomeric SMILES

CCCCCCCCCCOC(=O)C1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C(C)CCCC(C)C

InChI

InChI=1S/C36H48N2O4/c1-5-6-7-8-9-10-11-12-24-41-36(40)31-18-16-29(17-19-31)32-25-37-34(38-26-32)30-20-22-33(23-21-30)42-35(39)28(4)15-13-14-27(2)3/h16-23,25-28H,5-15,24H2,1-4H3