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

Systemtic Name: 1-[1-benzothiophen-3-yl-(3-fluoranyl-4-methoxy-phenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(3-fluoro-4-methoxy-phenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(3-fluoro-4-methoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(3-fluoro-4-methoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl-(3-fluoro-4-methoxy-phenyl)methyl]isonipecotic acid Formula: C22H22FNO3S MolecularWeight: 399.478383

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=CSC3=CC=CC=C32)N4CCC(CC4)C(=O)O)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=CSC3=CC=CC=C32)N4CCC(CC4)C(=O)O)F

InChI

InChI=1S/C22H22FNO3S/c1-27-19-7-6-15(12-18(19)23)21(24-10-8-14(9-11-24)22(25)26)17-13-28-20-5-3-2-4-16(17)20/h2-7,12-14,21H,8-11H2,1H3,(H,25,26)