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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC1=C(SC=C1)C(=CCCN2CCC(CC2)C(=O)O)C3=C(C=CS3)COC(C)C

Isomeric SMILES

CC(C)OCC1=C(SC=C1)C(=CCCN2CCC(CC2)C(=O)O)C3=C(C=CS3)COC(C)C

InChI

InChI=1S/C26H37NO4S2/c1-18(2)30-16-21-9-14-32-24(21)23(25-22(10-15-33-25)17-31-19(3)4)6-5-11-27-12-7-20(8-13-27)26(28)29/h6,9-10,14-15,18-20H,5,7-8,11-13,16-17H2,1-4H3,(H,28,29)