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

Systemtic Name: (5-octylpyridin-2-yl) (E)-4-phenylundec-2-enoate Openeye Name: (5-octyl-2-pyridyl) (E)-4-phenylundec-2-enoate CAS Name: (E)-4-phenyl-2-undecenoic acid (5-octyl-2-pyridinyl) ester IUPAC Name: (5-octylpyridin-2-yl) (E)-4-phenylundec-2-enoate Traditional Name: (E)-4-phenylundec-2-enoic acid (5-octyl-2-pyridyl) ester Formula: C30H43NO2 MolecularWeight: 449.66792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H43NO2/c1-3-5-7-9-11-13-17-26-21-23-29(31-25-26)33-30(32)24-22-28(20-14-10-8-6-4-2)27-18-15-12-16-19-27/h12,15-16,18-19,21-25,28H,3-11,13-14,17,20H2,1-2H3/b24-22+