4-[2-[5-(1-methylpyrrolidin-2-yl)pyridin-2-yl]ethynyl]benzoic acid

Systemtic Name: 4-[2-[5-(1-methylpyrrolidin-2-yl)pyridin-2-yl]ethynyl]benzoic acid Openeye Name: 4-[2-[5-(1-methylpyrrolidin-2-yl)-2-pyridyl]ethynyl]benzoic acid CAS Name: 4-[2-[5-(1-methyl-2-pyrrolidinyl)-2-pyridinyl]ethynyl]benzoic acid IUPAC Name: 4-[2-[5-(1-methylpyrrolidin-2-yl)pyridin-2-yl]ethynyl]benzoic acid Traditional Name: 4-[2-[5-(1-methylpyrrolidin-2-yl)-2-pyridyl]ethynyl]benzoic acid Formula: C19H18N2O2 MolecularWeight: 306.35842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1C2=CN=C(C=C2)C#CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CN1CCCC1C2=CN=C(C=C2)C#CC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H18N2O2/c1-21-12-2-3-18(21)16-9-11-17(20-13-16)10-6-14-4-7-15(8-5-14)19(22)23/h4-5,7-9,11,13,18H,2-3,12H2,1H3,(H,22,23)