1-[4-[5-(4-heptylphenyl)pyrimidin-2-yl]phenoxy]propan-2-yl 2-pentoxypropanoate

Systemtic Name: 1-[4-[5-(4-heptylphenyl)pyrimidin-2-yl]phenoxy]propan-2-yl 2-pentoxypropanoate Openeye Name: [2-[4-[5-(4-heptylphenyl)pyrimidin-2-yl]phenoxy]-1-methyl-ethyl] 2-pentoxypropanoate CAS Name: 2-pentoxypropanoic acid 1-[4-[5-(4-heptylphenyl)-2-pyrimidinyl]phenoxy]propan-2-yl ester IUPAC Name: 1-[4-[5-(4-heptylphenyl)pyrimidin-2-yl]phenoxy]propan-2-yl 2-pentoxypropanoate Traditional Name: 2-amoxypropionic acid [2-[4-[5-(4-heptylphenyl)pyrimidin-2-yl]phenoxy]-1-methyl-ethyl] ester Formula: C34H46N2O4 MolecularWeight: 546.74004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OCC(C)OC(=O)C(C)OCCCCC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OCC(C)OC(=O)C(C)OCCCCC

InChI

InChI=1S/C34H46N2O4/c1-5-7-9-10-11-13-28-14-16-29(17-15-28)31-23-35-33(36-24-31)30-18-20-32(21-19-30)39-25-26(3)40-34(37)27(4)38-22-12-8-6-2/h14-21,23-24,26-27H,5-13,22,25H2,1-4H3