1-[(5-bromanylthiophen-2-yl)-(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-bromo-2-thienyl)-(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-(2,3,4-trimethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-bromo-2-thienyl)-(2,3,4-trimethoxyphenyl)methyl]isonipecotic acid Formula: C20H24BrNO5S MolecularWeight: 470.37726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(C2=CC=C(S2)Br)N3CCC(CC3)C(=O)O)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(C2=CC=C(S2)Br)N3CCC(CC3)C(=O)O)OC)OC

InChI

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