(5-octylpyridin-2-yl) (E)-4-phenyldodec-2-enoate

Systemtic Name: (5-octylpyridin-2-yl) (E)-4-phenyldodec-2-enoate Openeye Name: (5-octyl-2-pyridyl) (E)-4-phenyldodec-2-enoate CAS Name: (E)-4-phenyl-2-dodecenoic acid (5-octyl-2-pyridinyl) ester IUPAC Name: (5-octylpyridin-2-yl) (E)-4-phenyldodec-2-enoate Traditional Name: (E)-4-phenyldodec-2-enoic acid (5-octyl-2-pyridyl) ester Formula: C31H45NO2 MolecularWeight: 463.6945

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(C=C1)OC(=O)C=CC(CCCCCCCC)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCC1=CN=C(C=C1)OC(=O)/C=C/C(CCCCCCCC)C2=CC=CC=C2

InChI

InChI=1S/C31H45NO2/c1-3-5-7-9-11-14-18-27-22-24-30(32-26-27)34-31(33)25-23-29(28-19-16-13-17-20-28)21-15-12-10-8-6-4-2/h13,16-17,19-20,22-26,29H,3-12,14-15,18,21H2,1-2H3/b25-23+