octan-2-yl 3-[4-(5-hexoxypyrimidin-2-yl)phenyl]butanoate

Systemtic Name: octan-2-yl 3-[4-(5-hexoxypyrimidin-2-yl)phenyl]butanoate Openeye Name: 1-methylheptyl 3-[4-(5-hexoxypyrimidin-2-yl)phenyl]butanoate CAS Name: 3-[4-(5-hexoxy-2-pyrimidinyl)phenyl]butanoic acid octan-2-yl ester IUPAC Name: octan-2-yl 3-[4-(5-hexoxypyrimidin-2-yl)phenyl]butanoate Traditional Name: 3-[4-(5-hexoxypyrimidin-2-yl)phenyl]butyric acid 1-methylheptyl ester Formula: C28H42N2O3 MolecularWeight: 454.64468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)CC(C)C1=CC=C(C=C1)C2=NC=C(C=N2)OCCCCCC

Isomeric SMILES

CCCCCCC(C)OC(=O)CC(C)C1=CC=C(C=C1)C2=NC=C(C=N2)OCCCCCC

InChI

InChI=1S/C28H42N2O3/c1-5-7-9-11-13-23(4)33-27(31)19-22(3)24-14-16-25(17-15-24)28-29-20-26(21-30-28)32-18-12-10-8-6-2/h14-17,20-23H,5-13,18-19H2,1-4H3