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

Systemtic Name: octan-2-yl 3-[4-(5-pentylpyrimidin-2-yl)phenyl]butanoate Openeye Name: 1-methylheptyl 3-[4-(5-pentylpyrimidin-2-yl)phenyl]butanoate CAS Name: 3-[4-(5-pentyl-2-pyrimidinyl)phenyl]butanoic acid octan-2-yl ester IUPAC Name: octan-2-yl 3-[4-(5-pentylpyrimidin-2-yl)phenyl]butanoate Traditional Name: 3-[4-(5-amylpyrimidin-2-yl)phenyl]butyric acid 1-methylheptyl ester Formula: C27H40N2O2 MolecularWeight: 424.6187

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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)CCCCC

Isomeric SMILES

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

InChI

InChI=1S/C27H40N2O2/c1-5-7-9-11-12-22(4)31-26(30)18-21(3)24-14-16-25(17-15-24)27-28-19-23(20-29-27)13-10-8-6-2/h14-17,19-22H,5-13,18H2,1-4H3