[2-[4-(4-octylphenyl)phenyl]pyrimidin-5-yl] 2-pentoxypropanoate

Systemtic Name: [2-[4-(4-octylphenyl)phenyl]pyrimidin-5-yl] 2-pentoxypropanoate Openeye Name: [2-[4-(4-octylphenyl)phenyl]pyrimidin-5-yl] 2-pentoxypropanoate CAS Name: 2-pentoxypropanoic acid [2-[4-(4-octylphenyl)phenyl]-5-pyrimidinyl] ester IUPAC Name: [2-[4-(4-octylphenyl)phenyl]pyrimidin-5-yl] 2-pentoxypropanoate Traditional Name: 2-amoxypropionic acid [2-[4-(4-octylphenyl)phenyl]pyrimidin-5-yl] ester Formula: C32H42N2O3 MolecularWeight: 502.68748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)OC(=O)C(C)OCCCCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)OC(=O)C(C)OCCCCC

InChI

InChI=1S/C32H42N2O3/c1-4-6-8-9-10-11-13-26-14-16-27(17-15-26)28-18-20-29(21-19-28)31-33-23-30(24-34-31)37-32(35)25(3)36-22-12-7-5-2/h14-21,23-25H,4-13,22H2,1-3H3