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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)CCC=C(C2=C(C=CS2)COC3=CC=CC=C3)C4=C(C=CS4)COC5=CC=CC=C5

Isomeric SMILES

C1CCN(C(C1)C(=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)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/h1-6,10-14,16-17,20-21,29H,7-9,15,18-19,22-23H2,(H,34,35)