1-[4-[4-(5-octylpyrimidin-2-yl)phenyl]phenyl]propan-2-yl nonanoate

Systemtic Name: 1-[4-[4-(5-octylpyrimidin-2-yl)phenyl]phenyl]propan-2-yl nonanoate Openeye Name: [1-methyl-2-[4-[4-(5-octylpyrimidin-2-yl)phenyl]phenyl]ethyl] nonanoate CAS Name: nonanoic acid 1-[4-[4-(5-octyl-2-pyrimidinyl)phenyl]phenyl]propan-2-yl ester IUPAC Name: 1-[4-[4-(5-octylpyrimidin-2-yl)phenyl]phenyl]propan-2-yl nonanoate Traditional Name: pelargonic acid [1-methyl-2-[4-[4-(5-octylpyrimidin-2-yl)phenyl]phenyl]ethyl] ester Formula: C36H50N2O2 MolecularWeight: 542.7944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)CC(C)OC(=O)CCCCCCCC

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)CC(C)OC(=O)CCCCCCCC

InChI

InChI=1S/C36H50N2O2/c1-4-6-8-10-12-14-16-31-27-37-36(38-28-31)34-24-22-33(23-25-34)32-20-18-30(19-21-32)26-29(3)40-35(39)17-15-13-11-9-7-5-2/h18-25,27-29H,4-17,26H2,1-3H3