1-(aminomethyl)-2-(4-ethylhexyl)cyclopropane-1-carboxylic acid

Systemtic Name: 1-(aminomethyl)-2-(4-ethylhexyl)cyclopropane-1-carboxylic acid Openeye Name: 1-(aminomethyl)-2-(4-ethylhexyl)cyclopropanecarboxylic acid CAS Name: 1-(aminomethyl)-2-(4-ethylhexyl)-1-cyclopropanecarboxylic acid IUPAC Name: 1-(aminomethyl)-2-(4-ethylhexyl)cyclopropane-1-carboxylic acid Traditional Name: 1-(aminomethyl)-2-(4-ethylhexyl)cyclopropanecarboxylic acid Formula: C13H25NO2 MolecularWeight: 227.3431

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CCCC1CC1(CN)C(=O)O

Isomeric SMILES

CCC(CC)CCCC1CC1(CN)C(=O)O

InChI

InChI=1S/C13H25NO2/c1-3-10(4-2)6-5-7-11-8-13(11,9-14)12(15)16/h10-11H,3-9,14H2,1-2H3,(H,15,16)