2-dodecoxy-5-(5-hexylpyrimidin-2-yl)aniline

Systemtic Name: 2-dodecoxy-5-(5-hexylpyrimidin-2-yl)aniline Openeye Name: 2-dodecoxy-5-(5-hexylpyrimidin-2-yl)aniline CAS Name: 2-dodecoxy-5-(5-hexyl-2-pyrimidinyl)aniline IUPAC Name: 2-dodecoxy-5-(5-hexylpyrimidin-2-yl)aniline Traditional Name: [5-(5-hexylpyrimidin-2-yl)-2-lauryloxy-phenyl]amine Formula: C28H45N3O MolecularWeight: 439.6764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)C2=NC=C(C=N2)CCCCCC)N

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)C2=NC=C(C=N2)CCCCCC)N

InChI

InChI=1S/C28H45N3O/c1-3-5-7-9-10-11-12-13-14-16-20-32-27-19-18-25(21-26(27)29)28-30-22-24(23-31-28)17-15-8-6-4-2/h18-19,21-23H,3-17,20,29H2,1-2H3