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

Systemtic Name: octan-2-yl 3-[4-(5-pentoxypyrimidin-2-yl)phenyl]butanoate Openeye Name: 1-methylheptyl 3-[4-(5-pentoxypyrimidin-2-yl)phenyl]butanoate CAS Name: 3-[4-(5-pentoxy-2-pyrimidinyl)phenyl]butanoic acid octan-2-yl ester IUPAC Name: octan-2-yl 3-[4-(5-pentoxypyrimidin-2-yl)phenyl]butanoate Traditional Name: 3-[4-(5-amoxypyrimidin-2-yl)phenyl]butyric acid 1-methylheptyl ester Formula: C27H40N2O3 MolecularWeight: 440.6181

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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)OCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C27H40N2O3/c1-5-7-9-10-12-22(4)32-26(30)18-21(3)23-13-15-24(16-14-23)27-28-19-25(20-29-27)31-17-11-8-6-2/h13-16,19-22H,5-12,17-18H2,1-4H3