7-[2-[4-(cyclohexyloxymethyl)phenyl]pyrimidin-5-yl]oxyheptyl prop-2-enoate

Systemtic Name: 7-[2-[4-(cyclohexyloxymethyl)phenyl]pyrimidin-5-yl]oxyheptyl prop-2-enoate Openeye Name: 7-[2-[4-(cyclohexoxymethyl)phenyl]pyrimidin-5-yl]oxyheptyl prop-2-enoate CAS Name: 2-propenoic acid 7-[[2-[4-(cyclohexyloxymethyl)phenyl]-5-pyrimidinyl]oxy]heptyl ester IUPAC Name: 7-[2-[4-(cyclohexyloxymethyl)phenyl]pyrimidin-5-yl]oxyheptyl prop-2-enoate Traditional Name: acrylic acid 7-[2-[4-(cyclohexoxymethyl)phenyl]pyrimidin-5-yl]oxyheptyl ester Formula: C27H36N2O4 MolecularWeight: 452.58574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)OCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)COC3CCCCC3

Isomeric SMILES

C=CC(=O)OCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)COC3CCCCC3

InChI

InChI=1S/C27H36N2O4/c1-2-26(30)32-18-10-5-3-4-9-17-31-25-19-28-27(29-20-25)23-15-13-22(14-16-23)21-33-24-11-7-6-8-12-24/h2,13-16,19-20,24H,1,3-12,17-18,21H2