1-[4-[5-(4-nonylphenyl)pyrimidin-2-yl]phenoxy]propan-2-yl 2-propoxypropanoate

Systemtic Name: 1-[4-[5-(4-nonylphenyl)pyrimidin-2-yl]phenoxy]propan-2-yl 2-propoxypropanoate Openeye Name: [1-methyl-2-[4-[5-(4-nonylphenyl)pyrimidin-2-yl]phenoxy]ethyl] 2-propoxypropanoate CAS Name: 2-propoxypropanoic acid 1-[4-[5-(4-nonylphenyl)-2-pyrimidinyl]phenoxy]propan-2-yl ester IUPAC Name: 1-[4-[5-(4-nonylphenyl)pyrimidin-2-yl]phenoxy]propan-2-yl 2-propoxypropanoate Traditional Name: 2-propoxypropionic acid [1-methyl-2-[4-[5-(4-nonylphenyl)pyrimidin-2-yl]phenoxy]ethyl] ester Formula: C34H46N2O4 MolecularWeight: 546.74004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OCC(C)OC(=O)C(C)OCCC

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OCC(C)OC(=O)C(C)OCCC

InChI

InChI=1S/C34H46N2O4/c1-5-7-8-9-10-11-12-13-28-14-16-29(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)38-22-6-2/h14-21,23-24,26-27H,5-13,22,25H2,1-4H3