(5-hexylpyrimidin-2-yl) (E)-4-phenyldec-2-enoate; (5-hexylpyrimidin-2-yl) (E)-4-phenylnon-2-enoate

Systemtic Name: (5-hexylpyrimidin-2-yl) (E)-4-phenyldec-2-enoate; (5-hexylpyrimidin-2-yl) (E)-4-phenylnon-2-enoate Openeye Name: (5-hexylpyrimidin-2-yl) (E)-4-phenyldec-2-enoate; (5-hexylpyrimidin-2-yl) (E)-4-phenylnon-2-enoate CAS Name: (E)-4-phenyl-2-decenoic acid (5-hexyl-2-pyrimidinyl) ester; (E)-4-phenyl-2-nonenoic acid (5-hexyl-2-pyrimidinyl) ester IUPAC Name: (5-hexylpyrimidin-2-yl) (E)-4-phenyldec-2-enoate; (5-hexylpyrimidin-2-yl) (E)-4-phenylnon-2-enoate Traditional Name: (E)-4-phenyldec-2-enoic acid (5-hexylpyrimidin-2-yl) ester; (E)-4-phenylnon-2-enoic acid (5-hexylpyrimidin-2-yl) ester Formula: C51H70N4O4 MolecularWeight: 803.1259

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(N=C1)OC(=O)C=CC(CCCCC)C2=CC=CC=C2.CCCCCCC1=CN=C(N=C1)OC(=O)C=CC(CCCCCC)C2=CC=CC=C2

Isomeric SMILES

CCCCCCC1=CN=C(N=C1)OC(=O)/C=C/C(CCCCC)C2=CC=CC=C2.CCCCCCC1=CN=C(N=C1)OC(=O)/C=C/C(CCCCCC)C2=CC=CC=C2

InChI

InChI=1S/C26H36N2O2.C25H34N2O2/c1-3-5-7-10-14-22-20-27-26(28-21-22)30-25(29)19-18-24(17-11-8-6-4-2)23-15-12-9-13-16-23;1-3-5-7-10-13-21-19-26-25(27-20-21)29-24(28)18-17-23(14-9-6-4-2)22-15-11-8-12-16-22/h9,12-13,15-16,18-21,24H,3-8,10-11,14,17H2,1-2H3;8,11-12,15-20,23H,3-7,9-10,13-14H2,1-2H3/b19-18+;18-17+