1-ethoxycarbonyl-3-[(4-nonylphenyl)methylamino]cyclopentane-1-carboxylic acid

Systemtic Name: 1-ethoxycarbonyl-3-[(4-nonylphenyl)methylamino]cyclopentane-1-carboxylic acid Openeye Name: 1-ethoxycarbonyl-3-[(4-nonylphenyl)methylamino]cyclopentanecarboxylic acid CAS Name: 1-ethoxycarbonyl-3-[(4-nonylphenyl)methylamino]-1-cyclopentanecarboxylic acid IUPAC Name: 1-ethoxycarbonyl-3-[(4-nonylphenyl)methylamino]cyclopentane-1-carboxylic acid Traditional Name: 1-carbethoxy-3-[(4-nonylbenzyl)amino]cyclopentanecarboxylic acid Formula: C25H39NO4 MolecularWeight: 417.58146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)CNC2CCC(C2)(C(=O)O)C(=O)OCC

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)CNC2CCC(C2)(C(=O)O)C(=O)OCC

InChI

InChI=1S/C25H39NO4/c1-3-5-6-7-8-9-10-11-20-12-14-21(15-13-20)19-26-22-16-17-25(18-22,23(27)28)24(29)30-4-2/h12-15,22,26H,3-11,16-19H2,1-2H3,(H,27,28)