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

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(3-fluoranyl-4-methoxy-phenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-bromo-2-thienyl)-(3-fluoro-4-methoxy-phenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-(3-fluoro-4-methoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-bromo-2-thienyl)-(3-fluoro-4-methoxy-phenyl)methyl]isonipecotic acid Formula: C18H19BrFNO3S MolecularWeight: 428.315763

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrFNO3S/c1-24-14-3-2-12(10-13(14)20)17(15-4-5-16(19)25-15)21-8-6-11(7-9-21)18(22)23/h2-5,10-11,17H,6-9H2,1H3,(H,22,23)