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

Systemtic Name: 1-ethoxycarbonyl-3-[(4-octylphenyl)methylamino]cyclopentane-1-carboxylic acid Openeye Name: 1-ethoxycarbonyl-3-[(4-octylphenyl)methylamino]cyclopentanecarboxylic acid CAS Name: 1-ethoxycarbonyl-3-[(4-octylphenyl)methylamino]-1-cyclopentanecarboxylic acid IUPAC Name: 1-ethoxycarbonyl-3-[(4-octylphenyl)methylamino]cyclopentane-1-carboxylic acid Traditional Name: 1-carbethoxy-3-[(4-octylbenzyl)amino]cyclopentanecarboxylic acid Formula: C24H37NO4 MolecularWeight: 403.55488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)CNC2CCC(C2)(C(=O)O)C(=O)OCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)CNC2CCC(C2)(C(=O)O)C(=O)OCC

InChI

InChI=1S/C24H37NO4/c1-3-5-6-7-8-9-10-19-11-13-20(14-12-19)18-25-21-15-16-24(17-21,22(26)27)23(28)29-4-2/h11-14,21,25H,3-10,15-18H2,1-2H3,(H,26,27)