1-[(5-bromanyl-2-ethoxy-phenyl)-thiophen-2-yl-methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(5-bromanyl-2-ethoxy-phenyl)-thiophen-2-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-bromo-2-ethoxy-phenyl)-(2-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-bromo-2-ethoxyphenyl)-thiophen-2-ylmethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-ethoxyphenyl)-thiophen-2-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-bromo-2-ethoxy-phenyl)-(2-thienyl)methyl]isonipecotic acid Formula: C19H22BrNO3S MolecularWeight: 424.35188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(C2=CC=CS2)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(C2=CC=CS2)N3CCC(CC3)C(=O)O

InChI

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