1-[4-[2-(4-pentylphenyl)pyrimidin-5-yl]phenoxy]propan-2-yl 3-methylhexanoate

Systemtic Name: 1-[4-[2-(4-pentylphenyl)pyrimidin-5-yl]phenoxy]propan-2-yl 3-methylhexanoate Openeye Name: [1-methyl-2-[4-[2-(4-pentylphenyl)pyrimidin-5-yl]phenoxy]ethyl] 3-methylhexanoate CAS Name: 3-methylhexanoic acid 1-[4-[2-(4-pentylphenyl)-5-pyrimidinyl]phenoxy]propan-2-yl ester IUPAC Name: 1-[4-[2-(4-pentylphenyl)pyrimidin-5-yl]phenoxy]propan-2-yl 3-methylhexanoate Traditional Name: 3-methylhexanoic acid [2-[4-[2-(4-amylphenyl)pyrimidin-5-yl]phenoxy]-1-methyl-ethyl] ester Formula: C31H40N2O3 MolecularWeight: 488.6609

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OCC(C)OC(=O)CC(C)CCC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OCC(C)OC(=O)CC(C)CCC

InChI

InChI=1S/C31H40N2O3/c1-5-7-8-10-25-11-13-27(14-12-25)31-32-20-28(21-33-31)26-15-17-29(18-16-26)35-22-24(4)36-30(34)19-23(3)9-6-2/h11-18,20-21,23-24H,5-10,19,22H2,1-4H3