[2-(4-heptoxyphenyl)pyrimidin-5-yl] tridecanoate

Systemtic Name: [2-(4-heptoxyphenyl)pyrimidin-5-yl] tridecanoate Openeye Name: [2-(4-heptoxyphenyl)pyrimidin-5-yl] tridecanoate CAS Name: tridecanoic acid [2-(4-heptoxyphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-heptoxyphenyl)pyrimidin-5-yl] tridecanoate Traditional Name: tridecanoic acid [2-(4-heptoxyphenyl)pyrimidin-5-yl] ester Formula: C30H46N2O3 MolecularWeight: 482.69784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(=O)OC1=CN=C(N=C1)C2=CC=C(C=C2)OCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCC(=O)OC1=CN=C(N=C1)C2=CC=C(C=C2)OCCCCCCC

InChI

InChI=1S/C30H46N2O3/c1-3-5-7-9-10-11-12-13-14-16-18-29(33)35-28-24-31-30(32-25-28)26-19-21-27(22-20-26)34-23-17-15-8-6-4-2/h19-22,24-25H,3-18,23H2,1-2H3