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

Systemtic Name: 1-[4,4-bis[3-(propan-2-yloxymethyl)thiophen-2-yl]but-3-enyl]piperidine-2-carboxylic acid Openeye Name: 1-[4,4-bis[3-(isopropoxymethyl)-2-thienyl]but-3-enyl]piperidine-2-carboxylic acid CAS Name: 1-[4,4-bis[3-(propan-2-yloxymethyl)-2-thiophenyl]but-3-enyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[4,4-bis[3-(propan-2-yloxymethyl)thiophen-2-yl]but-3-enyl]piperidine-2-carboxylic acid Traditional Name: 1-[4,4-bis[3-(isopropoxymethyl)-2-thienyl]but-3-enyl]pipecolinic acid Formula: C26H37NO4S2 MolecularWeight: 491.70628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC1=C(SC=C1)C(=CCCN2CCCCC2C(=O)O)C3=C(C=CS3)COC(C)C

Isomeric SMILES

CC(C)OCC1=C(SC=C1)C(=CCCN2CCCCC2C(=O)O)C3=C(C=CS3)COC(C)C

InChI

InChI=1S/C26H37NO4S2/c1-18(2)30-16-20-10-14-32-24(20)22(25-21(11-15-33-25)17-31-19(3)4)8-7-13-27-12-6-5-9-23(27)26(28)29/h8,10-11,14-15,18-19,23H,5-7,9,12-13,16-17H2,1-4H3,(H,28,29)