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

Systemtic Name: 1-[1-benzothiophen-3-yl-(3-fluoranyl-4-methoxy-phenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(3-fluoro-4-methoxy-phenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(3-fluoro-4-methoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(3-fluoro-4-methoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl-(3-fluoro-4-methoxy-phenyl)methyl]nipecotic 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)N4CCCC(C4)C(=O)O)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=CSC3=CC=CC=C32)N4CCCC(C4)C(=O)O)F

InChI

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