4-[1-[5-(1-methylpyrrolidin-2-yl)pyridin-3-yl]ethyl]benzoic acid

Systemtic Name: 4-[1-[5-(1-methylpyrrolidin-2-yl)pyridin-3-yl]ethyl]benzoic acid Openeye Name: 4-[1-[5-(1-methylpyrrolidin-2-yl)-3-pyridyl]ethyl]benzoic acid CAS Name: 4-[1-[5-(1-methyl-2-pyrrolidinyl)-3-pyridinyl]ethyl]benzoic acid IUPAC Name: 4-[1-[5-(1-methylpyrrolidin-2-yl)pyridin-3-yl]ethyl]benzoic acid Traditional Name: 4-[1-[5-(1-methylpyrrolidin-2-yl)-3-pyridyl]ethyl]benzoic acid Formula: C19H22N2O2 MolecularWeight: 310.39018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C(=O)O)C2=CN=CC(=C2)C3CCCN3C

Isomeric SMILES

CC(C1=CC=C(C=C1)C(=O)O)C2=CN=CC(=C2)C3CCCN3C

InChI

InChI=1S/C19H22N2O2/c1-13(14-5-7-15(8-6-14)19(22)23)16-10-17(12-20-11-16)18-4-3-9-21(18)2/h5-8,10-13,18H,3-4,9H2,1-2H3,(H,22,23)