1-[4,4-bis[3-(cyclohexyloxymethyl)thiophen-2-yl]but-3-enyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[4,4-bis[3-(cyclohexyloxymethyl)thiophen-2-yl]but-3-enyl]piperidine-2-carboxylic acid Openeye Name: 1-[4,4-bis[3-(cyclohexoxymethyl)-2-thienyl]but-3-enyl]piperidine-2-carboxylic acid CAS Name: 1-[4,4-bis[3-(cyclohexyloxymethyl)-2-thiophenyl]but-3-enyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[4,4-bis[3-(cyclohexyloxymethyl)thiophen-2-yl]but-3-enyl]piperidine-2-carboxylic acid Traditional Name: 1-[4,4-bis[3-(cyclohexoxymethyl)-2-thienyl]but-3-enyl]pipecolinic acid Formula: C32H45NO4S2 MolecularWeight: 571.834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OCC2=C(SC=C2)C(=CCCN3CCCCC3C(=O)O)C4=C(C=CS4)COC5CCCCC5

Isomeric SMILES

C1CCC(CC1)OCC2=C(SC=C2)C(=CCCN3CCCCC3C(=O)O)C4=C(C=CS4)COC5CCCCC5

InChI

InChI=1S/C32H45NO4S2/c34-32(35)29-15-7-8-18-33(29)19-9-14-28(30-24(16-20-38-30)22-36-26-10-3-1-4-11-26)31-25(17-21-39-31)23-37-27-12-5-2-6-13-27/h14,16-17,20-21,26-27,29H,1-13,15,18-19,22-23H2,(H,34,35)