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

Systemtic Name: 2-methylbutyl 3-[4-(5-propoxypyrimidin-2-yl)phenyl]butanoate Openeye Name: 2-methylbutyl 3-[4-(5-propoxypyrimidin-2-yl)phenyl]butanoate CAS Name: 3-[4-(5-propoxy-2-pyrimidinyl)phenyl]butanoic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl 3-[4-(5-propoxypyrimidin-2-yl)phenyl]butanoate Traditional Name: 3-[4-(5-propoxypyrimidin-2-yl)phenyl]butyric acid 2-methylbutyl ester Formula: C22H30N2O3 MolecularWeight: 370.4852

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C(C)CC(=O)OCC(C)CC

Isomeric SMILES

CCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C(C)CC(=O)OCC(C)CC

InChI

InChI=1S/C22H30N2O3/c1-5-11-26-20-13-23-22(24-14-20)19-9-7-18(8-10-19)17(4)12-21(25)27-15-16(3)6-2/h7-10,13-14,16-17H,5-6,11-12,15H2,1-4H3