3-[3-(4-ethoxycarbonyl-4-phenyl-piperidin-1-yl)-2-oxidanyl-propoxy]thiophene-2-carboxylic acid

Systemtic Name: 3-[3-(4-ethoxycarbonyl-4-phenyl-piperidin-1-yl)-2-oxidanyl-propoxy]thiophene-2-carboxylic acid Openeye Name: 3-[3-(4-ethoxycarbonyl-4-phenyl-1-piperidyl)-2-hydroxy-propoxy]thiophene-2-carboxylic acid CAS Name: 3-[3-(4-ethoxycarbonyl-4-phenyl-1-piperidinyl)-2-hydroxypropoxy]-2-thiophenecarboxylic acid IUPAC Name: 3-[3-(4-ethoxycarbonyl-4-phenylpiperidin-1-yl)-2-hydroxypropoxy]thiophene-2-carboxylic acid Traditional Name: 3-[3-(4-carbethoxy-4-phenyl-piperidino)-2-hydroxy-propoxy]-2-thenoic acid Formula: C22H27NO6S MolecularWeight: 433.51788

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC(COC2=C(SC=C2)C(=O)O)O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC(COC2=C(SC=C2)C(=O)O)O)C3=CC=CC=C3

InChI

InChI=1S/C22H27NO6S/c1-2-28-21(27)22(16-6-4-3-5-7-16)9-11-23(12-10-22)14-17(24)15-29-18-8-13-30-19(18)20(25)26/h3-8,13,17,24H,2,9-12,14-15H2,1H3,(H,25,26)