[2-(4-undecoxyphenyl)pyrimidin-5-yl] dodecanoate

Systemtic Name: [2-(4-undecoxyphenyl)pyrimidin-5-yl] dodecanoate Openeye Name: [2-(4-undecoxyphenyl)pyrimidin-5-yl] dodecanoate CAS Name: dodecanoic acid [2-(4-undecoxyphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-undecoxyphenyl)pyrimidin-5-yl] dodecanoate Traditional Name: lauric acid [2-(4-undecoxyphenyl)pyrimidin-5-yl] ester Formula: C33H52N2O3 MolecularWeight: 524.77758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OC1=CN=C(N=C1)C2=CC=C(C=C2)OCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCC(=O)OC1=CN=C(N=C1)C2=CC=C(C=C2)OCCCCCCCCCCC

InChI

InChI=1S/C33H52N2O3/c1-3-5-7-9-11-13-15-17-19-21-32(36)38-31-27-34-33(35-28-31)29-22-24-30(25-23-29)37-26-20-18-16-14-12-10-8-6-4-2/h22-25,27-28H,3-21,26H2,1-2H3