1-[(5-bromanylthiophen-2-yl)-(3-ethoxy-4-phenylmethoxy-phenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(3-ethoxy-4-phenylmethoxy-phenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(5-bromo-2-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(5-bromo-2-thienyl)methyl]isonipecotic acid Formula: C26H28BrNO4S MolecularWeight: 530.47382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=CC=C(S2)Br)N3CCC(CC3)C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC=C(S2)Br)N3CCC(CC3)C(=O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H28BrNO4S/c1-2-31-22-16-20(8-9-21(22)32-17-18-6-4-3-5-7-18)25(23-10-11-24(27)33-23)28-14-12-19(13-15-28)26(29)30/h3-11,16,19,25H,2,12-15,17H2,1H3,(H,29,30)