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

Systemtic Name: 1-[4,4-bis[3-(methoxymethyl)thiophen-2-yl]but-3-enyl]piperidine-4-carboxylic acid Openeye Name: 1-[4,4-bis[3-(methoxymethyl)-2-thienyl]but-3-enyl]piperidine-4-carboxylic acid CAS Name: 1-[4,4-bis[3-(methoxymethyl)-2-thiophenyl]but-3-enyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4,4-bis[3-(methoxymethyl)thiophen-2-yl]but-3-enyl]piperidine-4-carboxylic acid Traditional Name: 1-[4,4-bis[3-(methoxymethyl)-2-thienyl]but-3-enyl]isonipecotic acid Formula: C22H29NO4S2 MolecularWeight: 435.59996

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(SC=C1)C(=CCCN2CCC(CC2)C(=O)O)C3=C(C=CS3)COC

Isomeric SMILES

COCC1=C(SC=C1)C(=CCCN2CCC(CC2)C(=O)O)C3=C(C=CS3)COC

InChI

InChI=1S/C22H29NO4S2/c1-26-14-17-7-12-28-20(17)19(21-18(15-27-2)8-13-29-21)4-3-9-23-10-5-16(6-11-23)22(24)25/h4,7-8,12-13,16H,3,5-6,9-11,14-15H2,1-2H3,(H,24,25)