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

Systemtic Name: 1-[4-[2-(4-pentoxyphenyl)pyrimidin-4-yl]phenoxy]propan-2-yl pentanoate Openeye Name: [1-methyl-2-[4-[2-(4-pentoxyphenyl)pyrimidin-4-yl]phenoxy]ethyl] pentanoate CAS Name: pentanoic acid 1-[4-[2-(4-pentoxyphenyl)-4-pyrimidinyl]phenoxy]propan-2-yl ester IUPAC Name: 1-[4-[2-(4-pentoxyphenyl)pyrimidin-4-yl]phenoxy]propan-2-yl pentanoate Traditional Name: valeric acid [2-[4-[2-(4-amoxyphenyl)pyrimidin-4-yl]phenoxy]-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=NC=CC(=N2)C3=CC=C(C=C3)OCC(C)OC(=O)CCCC

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C2=NC=CC(=N2)C3=CC=C(C=C3)OCC(C)OC(=O)CCCC

InChI

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