(E)-2-(2-oxidanylpropan-2-yl)-7-phenyl-7-pyridin-3-yl-hept-6-enoic acid

Systemtic Name: (E)-2-(2-oxidanylpropan-2-yl)-7-phenyl-7-pyridin-3-yl-hept-6-enoic acid Openeye Name: (E)-2-(1-hydroxy-1-methyl-ethyl)-7-phenyl-7-(3-pyridyl)hept-6-enoic acid CAS Name: (E)-2-(2-hydroxypropan-2-yl)-7-phenyl-7-(3-pyridinyl)-6-heptenoic acid IUPAC Name: (E)-2-(2-hydroxypropan-2-yl)-7-phenyl-7-pyridin-3-ylhept-6-enoic acid Traditional Name: (E)-2-(1-hydroxy-1-methyl-ethyl)-7-phenyl-7-(3-pyridyl)hept-6-enoic acid Formula: C21H25NO3 MolecularWeight: 339.4281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(CCCC=C(C1=CC=CC=C1)C2=CN=CC=C2)C(=O)O)O

Isomeric SMILES

CC(C)(C(CCC/C=C(\C1=CC=CC=C1)/C2=CN=CC=C2)C(=O)O)O

InChI

InChI=1S/C21H25NO3/c1-21(2,25)19(20(23)24)13-7-6-12-18(16-9-4-3-5-10-16)17-11-8-14-22-15-17/h3-5,8-12,14-15,19,25H,6-7,13H2,1-2H3,(H,23,24)/b18-12+