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

Systemtic Name: 1-[4,4-bis[3-(phenoxymethyl)thiophen-2-yl]but-3-enyl]piperidine-4-carboxylic acid Openeye Name: 1-[4,4-bis[3-(phenoxymethyl)-2-thienyl]but-3-enyl]piperidine-4-carboxylic acid CAS Name: 1-[4,4-bis[3-(phenoxymethyl)-2-thiophenyl]but-3-enyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4,4-bis[3-(phenoxymethyl)thiophen-2-yl]but-3-enyl]piperidine-4-carboxylic acid Traditional Name: 1-[4,4-bis[3-(phenoxymethyl)-2-thienyl]but-3-enyl]isonipecotic acid Formula: C32H33NO4S2 MolecularWeight: 559.73872

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)CCC=C(C2=C(C=CS2)COC3=CC=CC=C3)C4=C(C=CS4)COC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)O)CCC=C(C2=C(C=CS2)COC3=CC=CC=C3)C4=C(C=CS4)COC5=CC=CC=C5

InChI

InChI=1S/C32H33NO4S2/c34-32(35)24-13-18-33(19-14-24)17-7-12-29(30-25(15-20-38-30)22-36-27-8-3-1-4-9-27)31-26(16-21-39-31)23-37-28-10-5-2-6-11-28/h1-6,8-12,15-16,20-21,24H,7,13-14,17-19,22-23H2,(H,34,35)