1-[(5-bromanylthiophen-2-yl)-(2-ethoxyphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(2-ethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-bromo-2-thienyl)-(2-ethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-(2-ethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-(2-ethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-bromo-2-thienyl)-o-phenetyl-methyl]nipecotic acid Formula: C19H22BrNO3S MolecularWeight: 424.35188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(C2=CC=C(S2)Br)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCOC1=CC=CC=C1C(C2=CC=C(S2)Br)N3CCCC(C3)C(=O)O

InChI

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