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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=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

C1CN(CCC1C(=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)30-17-22-41(23-18-30)21-7-14-35(38-31(19-24-46-38)26-44-36-15-5-10-28-8-1-3-12-33(28)36)39-32(20-25-47-39)27-45-37-16-6-11-29-9-2-4-13-34(29)37/h1-6,8-16,19-20,24-25,30H,7,17-18,21-23,26-27H2,(H,42,43)