4,4-bis(methylamino)-2-octan-3-yl-cyclohexa-2,5-diene-1-carboxylic acid

Systemtic Name: 4,4-bis(methylamino)-2-octan-3-yl-cyclohexa-2,5-diene-1-carboxylic acid Openeye Name: 2-(1-ethylhexyl)-4,4-bis(methylamino)cyclohexa-2,5-diene-1-carboxylic acid CAS Name: 4,4-bis(methylamino)-2-octan-3-yl-1-cyclohexa-2,5-dienecarboxylic acid IUPAC Name: 4,4-bis(methylamino)-2-octan-3-ylcyclohexa-2,5-diene-1-carboxylic acid Traditional Name: 2-(1-ethylhexyl)-4,4-bis(methylamino)cyclohexa-2,5-diene-1-carboxylic acid Formula: C17H30N2O2 MolecularWeight: 294.4323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)C1=CC(C=CC1C(=O)O)(NC)NC

Isomeric SMILES

CCCCCC(CC)C1=CC(C=CC1C(=O)O)(NC)NC

InChI

InChI=1S/C17H30N2O2/c1-5-7-8-9-13(6-2)15-12-17(18-3,19-4)11-10-14(15)16(20)21/h10-14,18-19H,5-9H2,1-4H3,(H,20,21)