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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H46N2O2/c1-3-5-7-9-11-12-15-19-26-24-32-30(33-25-26)29(31(34)35)23-28(27-20-17-14-18-21-27)22-16-13-10-8-6-4-2/h14,17-18,20-21,23-25,28H,3-13,15-16,19,22H2,1-2H3,(H,34,35)/b29-23-