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

Systemtic Name: (5-pentylpyrimidin-2-yl) (E)-4-phenyldodec-2-enoate Openeye Name: (5-pentylpyrimidin-2-yl) (E)-4-phenyldodec-2-enoate CAS Name: (E)-4-phenyl-2-dodecenoic acid (5-pentyl-2-pyrimidinyl) ester IUPAC Name: (5-pentylpyrimidin-2-yl) (E)-4-phenyldodec-2-enoate Traditional Name: (E)-4-phenyldodec-2-enoic acid (5-amylpyrimidin-2-yl) ester Formula: C27H38N2O2 MolecularWeight: 422.60282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C=CC(=O)OC1=NC=C(C=N1)CCCCC)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCC(/C=C/C(=O)OC1=NC=C(C=N1)CCCCC)C2=CC=CC=C2

InChI

InChI=1S/C27H38N2O2/c1-3-5-7-8-9-12-18-25(24-16-13-10-14-17-24)19-20-26(30)31-27-28-21-23(22-29-27)15-11-6-4-2/h10,13-14,16-17,19-22,25H,3-9,11-12,15,18H2,1-2H3/b20-19+