1-[4-[5-(4-dodecylphenyl)pyrimidin-2-yl]phenoxy]propan-2-yl 2-butoxypropanoate

Systemtic Name: 1-[4-[5-(4-dodecylphenyl)pyrimidin-2-yl]phenoxy]propan-2-yl 2-butoxypropanoate Openeye Name: [2-[4-[5-(4-dodecylphenyl)pyrimidin-2-yl]phenoxy]-1-methyl-ethyl] 2-butoxypropanoate CAS Name: 2-butoxypropanoic acid 1-[4-[5-(4-dodecylphenyl)-2-pyrimidinyl]phenoxy]propan-2-yl ester IUPAC Name: 1-[4-[5-(4-dodecylphenyl)pyrimidin-2-yl]phenoxy]propan-2-yl 2-butoxypropanoate Traditional Name: 2-butoxypropionic acid [2-[4-[5-(4-laurylphenyl)pyrimidin-2-yl]phenoxy]-1-methyl-ethyl] ester Formula: C38H54N2O4 MolecularWeight: 602.84636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OCC(C)OC(=O)C(C)OCCCC

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OCC(C)OC(=O)C(C)OCCCC

InChI

InChI=1S/C38H54N2O4/c1-5-7-9-10-11-12-13-14-15-16-17-32-18-20-33(21-19-32)35-27-39-37(40-28-35)34-22-24-36(25-23-34)43-29-30(3)44-38(41)31(4)42-26-8-6-2/h18-25,27-28,30-31H,5-17,26,29H2,1-4H3