6-[4-[2-(4-hexylphenyl)pyrimidin-5-yl]phenoxy]hexyl prop-2-enoate

Systemtic Name: 6-[4-[2-(4-hexylphenyl)pyrimidin-5-yl]phenoxy]hexyl prop-2-enoate Openeye Name: 6-[4-[2-(4-hexylphenyl)pyrimidin-5-yl]phenoxy]hexyl prop-2-enoate CAS Name: 2-propenoic acid 6-[4-[2-(4-hexylphenyl)-5-pyrimidinyl]phenoxy]hexyl ester IUPAC Name: 6-[4-[2-(4-hexylphenyl)pyrimidin-5-yl]phenoxy]hexyl prop-2-enoate Traditional Name: acrylic acid 6-[4-[2-(4-hexylphenyl)pyrimidin-5-yl]phenoxy]hexyl ester Formula: C31H38N2O3 MolecularWeight: 486.64502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OCCCCCCOC(=O)C=C

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OCCCCCCOC(=O)C=C

InChI

InChI=1S/C31H38N2O3/c1-3-5-6-9-12-25-13-15-27(16-14-25)31-32-23-28(24-33-31)26-17-19-29(20-18-26)35-21-10-7-8-11-22-36-30(34)4-2/h4,13-20,23-24H,2-3,5-12,21-22H2,1H3