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

Systemtic Name: [2-(4-nonylphenyl)pyrimidin-5-yl] dodecanoate Openeye Name: [2-(4-nonylphenyl)pyrimidin-5-yl] dodecanoate CAS Name: dodecanoic acid [2-(4-nonylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-nonylphenyl)pyrimidin-5-yl] dodecanoate Traditional Name: lauric acid [2-(4-nonylphenyl)pyrimidin-5-yl] ester Formula: C31H48N2O2 MolecularWeight: 480.72502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H48N2O2/c1-3-5-7-9-11-12-14-16-18-20-30(34)35-29-25-32-31(33-26-29)28-23-21-27(22-24-28)19-17-15-13-10-8-6-4-2/h21-26H,3-20H2,1-2H3