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(5-hexylpyrimidin-2-yl) (E)-4-phenylundec-2-enoate

Systemtic Name:	(5-hexylpyrimidin-2-yl) (E)-4-phenylundec-2-enoate
Openeye Name:	(5-hexylpyrimidin-2-yl) (E)-4-phenylundec-2-enoate
CAS Name:	(E)-4-phenyl-2-undecenoic acid (5-hexyl-2-pyrimidinyl) ester
IUPAC Name:	(5-hexylpyrimidin-2-yl) (E)-4-phenylundec-2-enoate
Traditional Name:	(E)-4-phenylundec-2-enoic acid (5-hexylpyrimidin-2-yl) ester
Formula:	C₂₇H₃₈N₂O₂
MolecularWeight:	422.60282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C=CC(=O)OC1=NC=C(C=N1)CCCCCC)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCC(/C=C/C(=O)OC1=NC=C(C=N1)CCCCCC)C2=CC=CC=C2

InChI

InChI=1S/C27H38N2O2/c1-3-5-7-9-12-18-25(24-16-13-10-14-17-24)19-20-26(30)31-27-28-21-23(22-29-27)15-11-8-6-4-2/h10,13-14,16-17,19-22,25H,3-9,11-12,15,18H2,1-2H3/b20-19+

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