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

Systemtic Name: octan-2-yl 3-[4-(5-octoxypyrimidin-2-yl)phenyl]butanoate Openeye Name: 1-methylheptyl 3-[4-(5-octoxypyrimidin-2-yl)phenyl]butanoate CAS Name: 3-[4-(5-octoxy-2-pyrimidinyl)phenyl]butanoic acid octan-2-yl ester IUPAC Name: octan-2-yl 3-[4-(5-octoxypyrimidin-2-yl)phenyl]butanoate Traditional Name: 3-[4-(5-octoxypyrimidin-2-yl)phenyl]butyric acid 1-methylheptyl ester Formula: C30H46N2O3 MolecularWeight: 482.69784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C(C)CC(=O)OC(C)CCCCCC

Isomeric SMILES

CCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C(C)CC(=O)OC(C)CCCCCC

InChI

InChI=1S/C30H46N2O3/c1-5-7-9-11-12-14-20-34-28-22-31-30(32-23-28)27-18-16-26(17-19-27)24(3)21-29(33)35-25(4)15-13-10-8-6-2/h16-19,22-25H,5-15,20-21H2,1-4H3