2-methylbutyl 3-[4-(5-pentoxypyrimidin-2-yl)phenyl]butanoate

Systemtic Name: 2-methylbutyl 3-[4-(5-pentoxypyrimidin-2-yl)phenyl]butanoate Openeye Name: 2-methylbutyl 3-[4-(5-pentoxypyrimidin-2-yl)phenyl]butanoate CAS Name: 3-[4-(5-pentoxy-2-pyrimidinyl)phenyl]butanoic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl 3-[4-(5-pentoxypyrimidin-2-yl)phenyl]butanoate Traditional Name: 3-[4-(5-amoxypyrimidin-2-yl)phenyl]butyric acid 2-methylbutyl ester Formula: C24H34N2O3 MolecularWeight: 398.53836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C(C)CC(=O)OCC(C)CC

Isomeric SMILES

CCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C(C)CC(=O)OCC(C)CC

InChI

InChI=1S/C24H34N2O3/c1-5-7-8-13-28-22-15-25-24(26-16-22)21-11-9-20(10-12-21)19(4)14-23(27)29-17-18(3)6-2/h9-12,15-16,18-19H,5-8,13-14,17H2,1-4H3