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

Systemtic Name: octan-2-yl 3-[4-(5-propoxypyrimidin-2-yl)phenyl]butanoate Openeye Name: 1-methylheptyl 3-[4-(5-propoxypyrimidin-2-yl)phenyl]butanoate CAS Name: 3-[4-(5-propoxy-2-pyrimidinyl)phenyl]butanoic acid octan-2-yl ester IUPAC Name: octan-2-yl 3-[4-(5-propoxypyrimidin-2-yl)phenyl]butanoate Traditional Name: 3-[4-(5-propoxypyrimidin-2-yl)phenyl]butyric acid 1-methylheptyl ester Formula: C25H36N2O3 MolecularWeight: 412.56494

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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)OCCC

Isomeric SMILES

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

InChI

InChI=1S/C25H36N2O3/c1-5-7-8-9-10-20(4)30-24(28)16-19(3)21-11-13-22(14-12-21)25-26-17-23(18-27-25)29-15-6-2/h11-14,17-20H,5-10,15-16H2,1-4H3