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

Systemtic Name: [2-(4-heptoxyphenyl)pyrimidin-5-yl] dodecanoate; [2-(4-heptoxyphenyl)pyrimidin-5-yl] tridecanoate Openeye Name: [2-(4-heptoxyphenyl)pyrimidin-5-yl] dodecanoate; [2-(4-heptoxyphenyl)pyrimidin-5-yl] tridecanoate CAS Name: dodecanoic acid [2-(4-heptoxyphenyl)-5-pyrimidinyl] ester; tridecanoic acid [2-(4-heptoxyphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-heptoxyphenyl)pyrimidin-5-yl] dodecanoate; [2-(4-heptoxyphenyl)pyrimidin-5-yl] tridecanoate Traditional Name: lauric acid [2-(4-heptoxyphenyl)pyrimidin-5-yl] ester; tridecanoic acid [2-(4-heptoxyphenyl)pyrimidin-5-yl] ester Formula: C59H90N4O6 MolecularWeight: 951.3691

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H46N2O3.C29H44N2O3/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;1-3-5-7-9-10-11-12-13-15-17-28(32)34-27-23-30-29(31-24-27)25-18-20-26(21-19-25)33-22-16-14-8-6-4-2/h19-22,24-25H,3-18,23H2,1-2H3;18-21,23-24H,3-17,22H2,1-2H3