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

Systemtic Name: (5-nonylpyrimidin-2-yl) (E)-4-phenyldodec-2-enoate Openeye Name: (5-nonylpyrimidin-2-yl) (E)-4-phenyldodec-2-enoate CAS Name: (E)-4-phenyl-2-dodecenoic acid (5-nonyl-2-pyrimidinyl) ester IUPAC Name: (5-nonylpyrimidin-2-yl) (E)-4-phenyldodec-2-enoate Traditional Name: (E)-4-phenyldodec-2-enoic acid (5-nonylpyrimidin-2-yl) ester Formula: C31H46N2O2 MolecularWeight: 478.70914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)OC(=O)C=CC(CCCCCCCC)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)OC(=O)/C=C/C(CCCCCCCC)C2=CC=CC=C2

InChI

InChI=1S/C31H46N2O2/c1-3-5-7-9-11-12-15-19-27-25-32-31(33-26-27)35-30(34)24-23-29(28-20-17-14-18-21-28)22-16-13-10-8-6-4-2/h14,17-18,20-21,23-26,29H,3-13,15-16,19,22H2,1-2H3/b24-23+