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

Systemtic Name: 1-[4,4-bis[3-(naphthalen-1-yloxymethyl)thiophen-2-yl]but-3-enyl]piperidine-2-carboxylic acid Openeye Name: 1-[4,4-bis[3-(1-naphthyloxymethyl)-2-thienyl]but-3-enyl]piperidine-2-carboxylic acid CAS Name: 1-[4,4-bis[3-(1-naphthalenyloxymethyl)-2-thiophenyl]but-3-enyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[4,4-bis[3-(naphthalen-1-yloxymethyl)thiophen-2-yl]but-3-enyl]piperidine-2-carboxylic acid Traditional Name: 1-[4,4-bis[3-(1-naphthoxymethyl)-2-thienyl]but-3-enyl]pipecolinic acid Formula: C40H37NO4S2 MolecularWeight: 659.85608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)CCC=C(C2=C(C=CS2)COC3=CC=CC4=CC=CC=C43)C5=C(C=CS5)COC6=CC=CC7=CC=CC=C76

Isomeric SMILES

C1CCN(C(C1)C(=O)O)CCC=C(C2=C(C=CS2)COC3=CC=CC4=CC=CC=C43)C5=C(C=CS5)COC6=CC=CC7=CC=CC=C76

InChI

InChI=1S/C40H37NO4S2/c42-40(43)35-17-5-6-22-41(35)23-9-16-34(38-30(20-24-46-38)26-44-36-18-7-12-28-10-1-3-14-32(28)36)39-31(21-25-47-39)27-45-37-19-8-13-29-11-2-4-15-33(29)37/h1-4,7-8,10-16,18-21,24-25,35H,5-6,9,17,22-23,26-27H2,(H,42,43)