1-[1-benzothiophen-3-yl-(2-methoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[1-benzothiophen-3-yl-(2-methoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(2-methoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(2-methoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(2-methoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl-(2-methoxyphenyl)methyl]isonipecotic acid Formula: C22H23NO3S MolecularWeight: 381.48792

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(C2=CSC3=CC=CC=C32)N4CCC(CC4)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1C(C2=CSC3=CC=CC=C32)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C22H23NO3S/c1-26-19-8-4-2-7-17(19)21(23-12-10-15(11-13-23)22(24)25)18-14-27-20-9-5-3-6-16(18)20/h2-9,14-15,21H,10-13H2,1H3,(H,24,25)