3-methoxy-5-(8-pyridin-3-yloctyl)benzoic acid

Systemtic Name: 3-methoxy-5-(8-pyridin-3-yloctyl)benzoic acid Openeye Name: 3-methoxy-5-[8-(3-pyridyl)octyl]benzoic acid CAS Name: 3-methoxy-5-[8-(3-pyridinyl)octyl]benzoic acid IUPAC Name: 3-methoxy-5-(8-pyridin-3-yloctyl)benzoic acid Traditional Name: 3-methoxy-5-[8-(3-pyridyl)octyl]benzoic acid Formula: C21H27NO3 MolecularWeight: 341.44398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CCCCCCCCC2=CN=CC=C2)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1)CCCCCCCCC2=CN=CC=C2)C(=O)O

InChI

InChI=1S/C21H27NO3/c1-25-20-14-18(13-19(15-20)21(23)24)10-7-5-3-2-4-6-9-17-11-8-12-22-16-17/h8,11-16H,2-7,9-10H2,1H3,(H,23,24)