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

Systemtic Name: (E)-7-phenyl-2-prop-2-ynyl-7-pyridin-3-yl-hept-6-enoic acid Openeye Name: (E)-7-phenyl-2-prop-2-ynyl-7-(3-pyridyl)hept-6-enoic acid CAS Name: (E)-7-phenyl-2-prop-2-ynyl-7-(3-pyridinyl)-6-heptenoic acid IUPAC Name: (E)-7-phenyl-2-prop-2-ynyl-7-pyridin-3-ylhept-6-enoic acid Traditional Name: (E)-7-phenyl-2-propargyl-7-(3-pyridyl)hept-6-enoic acid Formula: C21H21NO2 MolecularWeight: 319.39694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO2/c1-2-9-18(21(23)24)12-6-7-14-20(17-10-4-3-5-11-17)19-13-8-15-22-16-19/h1,3-5,8,10-11,13-16,18H,6-7,9,12H2,(H,23,24)/b20-14+