1-[2-[4-(4-pentoxyphenyl)phenyl]pyrimidin-5-yl]oxypropan-2-yl pentanoate

Systemtic Name: 1-[2-[4-(4-pentoxyphenyl)phenyl]pyrimidin-5-yl]oxypropan-2-yl pentanoate Openeye Name: [1-methyl-2-[2-[4-(4-pentoxyphenyl)phenyl]pyrimidin-5-yl]oxy-ethyl] pentanoate CAS Name: pentanoic acid 1-[[2-[4-(4-pentoxyphenyl)phenyl]-5-pyrimidinyl]oxy]propan-2-yl ester IUPAC Name: 1-[2-[4-(4-pentoxyphenyl)phenyl]pyrimidin-5-yl]oxypropan-2-yl pentanoate Traditional Name: valeric acid [2-[2-[4-(4-amoxyphenyl)phenyl]pyrimidin-5-yl]oxy-1-methyl-ethyl] ester Formula: C29H36N2O4 MolecularWeight: 476.60714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)OCC(C)OC(=O)CCCC

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)OCC(C)OC(=O)CCCC

InChI

InChI=1S/C29H36N2O4/c1-4-6-8-18-33-26-16-14-24(15-17-26)23-10-12-25(13-11-23)29-30-19-27(20-31-29)34-21-22(3)35-28(32)9-7-5-2/h10-17,19-20,22H,4-9,18,21H2,1-3H3