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

Systemtic Name: (5-octylpyrimidin-2-yl) (E)-4-phenylundec-2-enoate Openeye Name: (5-octylpyrimidin-2-yl) (E)-4-phenylundec-2-enoate CAS Name: (E)-4-phenyl-2-undecenoic acid (5-octyl-2-pyrimidinyl) ester IUPAC Name: (5-octylpyrimidin-2-yl) (E)-4-phenylundec-2-enoate Traditional Name: (E)-4-phenylundec-2-enoic acid (5-octylpyrimidin-2-yl) ester Formula: C29H42N2O2 MolecularWeight: 450.65598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H42N2O2/c1-3-5-7-9-11-13-17-25-23-30-29(31-24-25)33-28(32)22-21-27(20-14-10-8-6-4-2)26-18-15-12-16-19-26/h12,15-16,18-19,21-24,27H,3-11,13-14,17,20H2,1-2H3/b22-21+