3-[4-[(2-methoxy-5-phenyl-pyridin-3-yl)methoxy]phenyl]hex-4-ynoic acid

Systemtic Name: 3-[4-[(2-methoxy-5-phenyl-pyridin-3-yl)methoxy]phenyl]hex-4-ynoic acid Openeye Name: 3-[4-[(2-methoxy-5-phenyl-3-pyridyl)methoxy]phenyl]hex-4-ynoic acid CAS Name: 3-[4-[(2-methoxy-5-phenyl-3-pyridinyl)methoxy]phenyl]-4-hexynoic acid IUPAC Name: 3-[4-[(2-methoxy-5-phenylpyridin-3-yl)methoxy]phenyl]hex-4-ynoic acid Traditional Name: 3-[4-[(2-methoxy-5-phenyl-3-pyridyl)methoxy]phenyl]hex-4-ynoic acid Formula: C25H23NO4 MolecularWeight: 401.45442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CC(CC(=O)O)C1=CC=C(C=C1)OCC2=C(N=CC(=C2)C3=CC=CC=C3)OC

Isomeric SMILES

CC#CC(CC(=O)O)C1=CC=C(C=C1)OCC2=C(N=CC(=C2)C3=CC=CC=C3)OC

InChI

InChI=1S/C25H23NO4/c1-3-7-20(15-24(27)28)19-10-12-23(13-11-19)30-17-22-14-21(16-26-25(22)29-2)18-8-5-4-6-9-18/h4-6,8-14,16,20H,15,17H2,1-2H3,(H,27,28)