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

Systemtic Name: 1-[4,4-bis[3-(phenylmethoxymethyl)thiophen-2-yl]but-3-enyl]piperidine-2-carboxylic acid Openeye Name: 1-[4,4-bis[3-(benzyloxymethyl)-2-thienyl]but-3-enyl]piperidine-2-carboxylic acid CAS Name: 1-[4,4-bis[3-(phenylmethoxymethyl)-2-thiophenyl]but-3-enyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[4,4-bis[3-(phenylmethoxymethyl)thiophen-2-yl]but-3-enyl]piperidine-2-carboxylic acid Traditional Name: 1-[4,4-bis[3-(benzoxymethyl)-2-thienyl]but-3-enyl]pipecolinic acid Formula: C34H37NO4S2 MolecularWeight: 587.79188

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)CCC=C(C2=C(C=CS2)COCC3=CC=CC=C3)C4=C(C=CS4)COCC5=CC=CC=C5

Isomeric SMILES

C1CCN(C(C1)C(=O)O)CCC=C(C2=C(C=CS2)COCC3=CC=CC=C3)C4=C(C=CS4)COCC5=CC=CC=C5

InChI

InChI=1S/C34H37NO4S2/c36-34(37)31-15-7-8-18-35(31)19-9-14-30(32-28(16-20-40-32)24-38-22-26-10-3-1-4-11-26)33-29(17-21-41-33)25-39-23-27-12-5-2-6-13-27/h1-6,10-14,16-17,20-21,31H,7-9,15,18-19,22-25H2,(H,36,37)