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

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(2-methoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-bromo-2-thienyl)-(2-methoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-(2-methoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-(2-methoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-bromo-2-thienyl)-(2-methoxyphenyl)methyl]nipecotic acid Formula: C18H20BrNO3S MolecularWeight: 410.3253

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(C2=CC=C(S2)Br)N3CCCC(C3)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1C(C2=CC=C(S2)Br)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C18H20BrNO3S/c1-23-14-7-3-2-6-13(14)17(15-8-9-16(19)24-15)20-10-4-5-12(11-20)18(21)22/h2-3,6-9,12,17H,4-5,10-11H2,1H3,(H,21,22)