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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)CCC=C(C2=C(C=CS2)COCC3=CC=CC=C3)C4=C(C=CS4)COCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C(=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)28-13-18-35(19-14-28)17-7-12-31(32-29(15-20-40-32)24-38-22-26-8-3-1-4-9-26)33-30(16-21-41-33)25-39-23-27-10-5-2-6-11-27/h1-6,8-12,15-16,20-21,28H,7,13-14,17-19,22-25H2,(H,36,37)