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

Systemtic Name: decyl 2-[4-[4-(2,6-dimethylheptanoyloxy)phenyl]pyrimidin-5-yl]benzoate Openeye Name: decyl 2-[4-[4-(2,6-dimethylheptanoyloxy)phenyl]pyrimidin-5-yl]benzoate CAS Name: 2-[4-[4-(2,6-dimethyl-1-oxoheptoxy)phenyl]-5-pyrimidinyl]benzoic acid decyl ester IUPAC Name: decyl 2-[4-[4-(2,6-dimethylheptanoyloxy)phenyl]pyrimidin-5-yl]benzoate Traditional Name: 2-[4-[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=CC=C1C2=CN=CN=C2C3=CC=C(C=C3)OC(=O)C(C)CCCC(C)C

Isomeric SMILES

CCCCCCCCCCOC(=O)C1=CC=CC=C1C2=CN=CN=C2C3=CC=C(C=C3)OC(=O)C(C)CCCC(C)C

InChI

InChI=1S/C36H48N2O4/c1-5-6-7-8-9-10-11-14-24-41-36(40)32-19-13-12-18-31(32)33-25-37-26-38-34(33)29-20-22-30(23-21-29)42-35(39)28(4)17-15-16-27(2)3/h12-13,18-23,25-28H,5-11,14-17,24H2,1-4H3