(Z)-2-(5-octylpyrimidin-2-yl)-4-phenyl-non-2-enoate

Systemtic Name: (Z)-2-(5-octylpyrimidin-2-yl)-4-phenyl-non-2-enoate Openeye Name: (Z)-2-(5-octylpyrimidin-2-yl)-4-phenyl-non-2-enoate CAS Name: (Z)-2-(5-octyl-2-pyrimidinyl)-4-phenyl-2-nonenoate IUPAC Name: (Z)-2-(5-octylpyrimidin-2-yl)-4-phenylnon-2-enoate Traditional Name: (Z)-2-(5-octylpyrimidin-2-yl)-4-phenyl-non-2-enoate Formula: C27H37N2O2- MolecularWeight: 421.59488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C(=CC(CCCCC)C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)/C(=C/C(CCCCC)C2=CC=CC=C2)/C(=O)[O-]

InChI

InChI=1S/C27H38N2O2/c1-3-5-7-8-9-12-15-22-20-28-26(29-21-22)25(27(30)31)19-24(18-11-6-4-2)23-16-13-10-14-17-23/h10,13-14,16-17,19-21,24H,3-9,11-12,15,18H2,1-2H3,(H,30,31)/p-1/b25-19-