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

Systemtic Name: 1-[4-[5-(4-pentoxyphenyl)pyrimidin-2-yl]phenoxy]propan-2-yl 2-butoxypropanoate Openeye Name: [1-methyl-2-[4-[5-(4-pentoxyphenyl)pyrimidin-2-yl]phenoxy]ethyl] 2-butoxypropanoate CAS Name: 2-butoxypropanoic acid 1-[4-[5-(4-pentoxyphenyl)-2-pyrimidinyl]phenoxy]propan-2-yl ester IUPAC Name: 1-[4-[5-(4-pentoxyphenyl)pyrimidin-2-yl]phenoxy]propan-2-yl 2-butoxypropanoate Traditional Name: 2-butoxypropionic acid [2-[4-[5-(4-amoxyphenyl)pyrimidin-2-yl]phenoxy]-1-methyl-ethyl] ester Formula: C31H40N2O5 MolecularWeight: 520.6597

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OCC(C)OC(=O)C(C)OCCCC

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OCC(C)OC(=O)C(C)OCCCC

InChI

InChI=1S/C31H40N2O5/c1-5-7-9-19-36-28-14-10-25(11-15-28)27-20-32-30(33-21-27)26-12-16-29(17-13-26)37-22-23(3)38-31(34)24(4)35-18-8-6-2/h10-17,20-21,23-24H,5-9,18-19,22H2,1-4H3