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

Systemtic Name: 1-[1-benzothiophen-2-yl-(2-methoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[benzothiophen-2-yl-(2-methoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1-benzothiophen-2-yl-(2-methoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-2-yl-(2-methoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[benzothiophen-2-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=CC3=CC=CC=C3S2)N4CCC(CC4)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1C(C2=CC3=CC=CC=C3S2)N4CCC(CC4)C(=O)O

InChI

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