1-[(5-bromanylthiophen-2-yl)-(4-ethoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(4-ethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-bromo-2-thienyl)-(4-ethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-(4-ethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-(4-ethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-bromo-2-thienyl)-p-phenetyl-methyl]isonipecotic acid Formula: C19H22BrNO3S MolecularWeight: 424.35188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C2=CC=C(S2)Br)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)C(C2=CC=C(S2)Br)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C19H22BrNO3S/c1-2-24-15-5-3-13(4-6-15)18(16-7-8-17(20)25-16)21-11-9-14(10-12-21)19(22)23/h3-8,14,18H,2,9-12H2,1H3,(H,22,23)