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

Systemtic Name: (5-octylpyrimidin-2-yl) (E)-4-phenyldodec-2-enoate Openeye Name: (5-octylpyrimidin-2-yl) (E)-4-phenyldodec-2-enoate CAS Name: (E)-4-phenyl-2-dodecenoic acid (5-octyl-2-pyrimidinyl) ester IUPAC Name: (5-octylpyrimidin-2-yl) (E)-4-phenyldodec-2-enoate Traditional Name: (E)-4-phenyldodec-2-enoic acid (5-octylpyrimidin-2-yl) ester Formula: C30H44N2O2 MolecularWeight: 464.68256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H44N2O2/c1-3-5-7-9-11-14-18-26-24-31-30(32-25-26)34-29(33)23-22-28(27-19-16-13-17-20-27)21-15-12-10-8-6-4-2/h13,16-17,19-20,22-25,28H,3-12,14-15,18,21H2,1-2H3/b23-22+