2-[4-(2,6-dimethyl-1,4-dihydropyridin-3-yl)butyl]nonanoic acid

Systemtic Name: 2-[4-(2,6-dimethyl-1,4-dihydropyridin-3-yl)butyl]nonanoic acid Openeye Name: 2-[4-(2,6-dimethyl-1,4-dihydropyridin-3-yl)butyl]nonanoic acid CAS Name: 2-[4-(2,6-dimethyl-1,4-dihydropyridin-3-yl)butyl]nonanoic acid IUPAC Name: 2-[4-(2,6-dimethyl-1,4-dihydropyridin-3-yl)butyl]nonanoic acid Traditional Name: 2-[4-(2,6-dimethyl-1,4-dihydropyridin-3-yl)butyl]pelargonic acid Formula: C20H35NO2 MolecularWeight: 321.4974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(CCCCC1=C(NC(=CC1)C)C)C(=O)O

Isomeric SMILES

CCCCCCCC(CCCCC1=C(NC(=CC1)C)C)C(=O)O

InChI

InChI=1S/C20H35NO2/c1-4-5-6-7-8-12-19(20(22)23)13-10-9-11-18-15-14-16(2)21-17(18)3/h14,19,21H,4-13,15H2,1-3H3,(H,22,23)