2-[carboxymethyl-(2-carboxy-2-propyl-cyclohexyl)amino]-1-propyl-cyclohexane-1-carboxylic acid

Systemtic Name: 2-[carboxymethyl-(2-carboxy-2-propyl-cyclohexyl)amino]-1-propyl-cyclohexane-1-carboxylic acid Openeye Name: 2-[carboxymethyl-(2-carboxy-2-propyl-cyclohexyl)amino]-1-propyl-cyclohexanecarboxylic acid CAS Name: 2-[carboxymethyl-(2-carboxy-2-propylcyclohexyl)amino]-1-propyl-1-cyclohexanecarboxylic acid IUPAC Name: 2-[carboxymethyl-(2-carboxy-2-propylcyclohexyl)amino]-1-propylcyclohexane-1-carboxylic acid Traditional Name: 2-[carboxymethyl-(2-carboxy-2-propyl-cyclohexyl)amino]-1-propyl-cyclohexanecarboxylic acid Formula: C22H37NO6 MolecularWeight: 411.53228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CCCCC1N(CC(=O)O)C2CCCCC2(CCC)C(=O)O)C(=O)O

Isomeric SMILES

CCCC1(CCCCC1N(CC(=O)O)C2CCCCC2(CCC)C(=O)O)C(=O)O

InChI

InChI=1S/C22H37NO6/c1-3-11-21(19(26)27)13-7-5-9-16(21)23(15-18(24)25)17-10-6-8-14-22(17,12-4-2)20(28)29/h16-17H,3-15H2,1-2H3,(H,24,25)(H,26,27)(H,28,29)