3-[(4-octoxyphenyl)methylamino]cyclopentane-1,1-dicarboxylic acid

Systemtic Name: 3-[(4-octoxyphenyl)methylamino]cyclopentane-1,1-dicarboxylic acid Openeye Name: 3-[(4-octoxyphenyl)methylamino]cyclopentane-1,1-dicarboxylic acid CAS Name: 3-[(4-octoxyphenyl)methylamino]cyclopentane-1,1-dicarboxylic acid IUPAC Name: 3-[(4-octoxyphenyl)methylamino]cyclopentane-1,1-dicarboxylic acid Traditional Name: 3-[(4-octoxybenzyl)amino]cyclopentane-1,1-dicarboxylic acid Formula: C22H33NO5 MolecularWeight: 391.50112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)CNC2CCC(C2)(C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)CNC2CCC(C2)(C(=O)O)C(=O)O

InChI

InChI=1S/C22H33NO5/c1-2-3-4-5-6-7-14-28-19-10-8-17(9-11-19)16-23-18-12-13-22(15-18,20(24)25)21(26)27/h8-11,18,23H,2-7,12-16H2,1H3,(H,24,25)(H,26,27)