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

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(2,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-bromo-2-thienyl)-(2,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-(2,4,5-trimethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[asaryl-(5-bromo-2-thienyl)methyl]isonipecotic acid Formula: C20H24BrNO5S MolecularWeight: 470.37726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(C2=CC=C(S2)Br)N3CCC(CC3)C(=O)O)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(C2=CC=C(S2)Br)N3CCC(CC3)C(=O)O)OC)OC

InChI

InChI=1S/C20H24BrNO5S/c1-25-14-11-16(27-3)15(26-2)10-13(14)19(17-4-5-18(21)28-17)22-8-6-12(7-9-22)20(23)24/h4-5,10-12,19H,6-9H2,1-3H3,(H,23,24)