(Z)-2-(5-octylpyrimidin-2-yl)-4-phenyl-dodec-2-enoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H44N2O2/c1-3-5-7-9-11-14-18-25-23-31-29(32-24-25)28(30(33)34)22-27(26-19-16-13-17-20-26)21-15-12-10-8-6-4-2/h13,16-17,19-20,22-24,27H,3-12,14-15,18,21H2,1-2H3,(H,33,34)/b28-22-