4-[[4-(5-azanyl-4-ethoxycarbonyl-thiophen-3-yl)phenoxy]methyl]-4-oxidanyl-piperidine-1-carboxylic acid

Systemtic Name: 4-[[4-(5-azanyl-4-ethoxycarbonyl-thiophen-3-yl)phenoxy]methyl]-4-oxidanyl-piperidine-1-carboxylic acid Openeye Name: 4-[[4-(5-amino-4-ethoxycarbonyl-3-thienyl)phenoxy]methyl]-4-hydroxy-piperidine-1-carboxylic acid CAS Name: 4-[[4-(5-amino-4-ethoxycarbonyl-3-thiophenyl)phenoxy]methyl]-4-hydroxy-1-piperidinecarboxylic acid IUPAC Name: 4-[[4-(5-amino-4-ethoxycarbonylthiophen-3-yl)phenoxy]methyl]-4-hydroxypiperidine-1-carboxylic acid Traditional Name: 4-[[4-(5-amino-4-carbethoxy-3-thienyl)phenoxy]methyl]-4-hydroxy-piperidine-1-carboxylic acid Formula: C20H24N2O6S MolecularWeight: 420.47936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OCC3(CCN(CC3)C(=O)O)O)N

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OCC3(CCN(CC3)C(=O)O)O)N

InChI

InChI=1S/C20H24N2O6S/c1-2-27-18(23)16-15(11-29-17(16)21)13-3-5-14(6-4-13)28-12-20(26)7-9-22(10-8-20)19(24)25/h3-6,11,26H,2,7-10,12,21H2,1H3,(H,24,25)