(Z)-2-(5-heptylpyrimidin-2-yl)-4-phenyl-undec-2-enoic acid

Systemtic Name: (Z)-2-(5-heptylpyrimidin-2-yl)-4-phenyl-undec-2-enoic acid Openeye Name: (Z)-2-(5-heptylpyrimidin-2-yl)-4-phenyl-undec-2-enoic acid CAS Name: (Z)-2-(5-heptyl-2-pyrimidinyl)-4-phenyl-2-undecenoic acid IUPAC Name: (Z)-2-(5-heptylpyrimidin-2-yl)-4-phenylundec-2-enoic acid Traditional Name: (Z)-2-(5-heptylpyrimidin-2-yl)-4-phenyl-undec-2-enoic acid Formula: C28H40N2O2 MolecularWeight: 436.6294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C(=CC(CCCCCCC)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)/C(=C/C(CCCCCCC)C2=CC=CC=C2)/C(=O)O

InChI

InChI=1S/C28H40N2O2/c1-3-5-7-9-12-16-23-21-29-27(30-22-23)26(28(31)32)20-25(19-13-10-8-6-4-2)24-17-14-11-15-18-24/h11,14-15,17-18,20-22,25H,3-10,12-13,16,19H2,1-2H3,(H,31,32)/b26-20-