[2-[4-(6-oxidanylhexoxy)phenyl]pyrimidin-5-yl] 4-(6-oxidanylhexoxy)benzoate

Systemtic Name: [2-[4-(6-oxidanylhexoxy)phenyl]pyrimidin-5-yl] 4-(6-oxidanylhexoxy)benzoate Openeye Name: [2-[4-(6-hydroxyhexoxy)phenyl]pyrimidin-5-yl] 4-(6-hydroxyhexoxy)benzoate CAS Name: 4-(6-hydroxyhexoxy)benzoic acid [2-[4-(6-hydroxyhexoxy)phenyl]-5-pyrimidinyl] ester IUPAC Name: [2-[4-(6-hydroxyhexoxy)phenyl]pyrimidin-5-yl] 4-(6-hydroxyhexoxy)benzoate Traditional Name: 4-(6-hydroxyhexoxy)benzoic acid [2-[4-(6-hydroxyhexoxy)phenyl]pyrimidin-5-yl] ester Formula: C29H36N2O6 MolecularWeight: 508.60594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC=C(C=N2)OC(=O)C3=CC=C(C=C3)OCCCCCCO)OCCCCCCO

Isomeric SMILES

C1=CC(=CC=C1C2=NC=C(C=N2)OC(=O)C3=CC=C(C=C3)OCCCCCCO)OCCCCCCO

InChI

InChI=1S/C29H36N2O6/c32-17-5-1-3-7-19-35-25-13-9-23(10-14-25)28-30-21-27(22-31-28)37-29(34)24-11-15-26(16-12-24)36-20-8-4-2-6-18-33/h9-16,21-22,32-33H,1-8,17-20H2