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

Systemtic Name: 1-[1-benzothiophen-3-yl-(3-phenoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(3-phenoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(3-phenoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(3-phenoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl-(3-phenoxyphenyl)methyl]isonipecotic acid Formula: C27H25NO3S MolecularWeight: 443.5573

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CSC5=CC=CC=C54

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CSC5=CC=CC=C54

InChI

InChI=1S/C27H25NO3S/c29-27(30)19-13-15-28(16-14-19)26(24-18-32-25-12-5-4-11-23(24)25)20-7-6-10-22(17-20)31-21-8-2-1-3-9-21/h1-12,17-19,26H,13-16H2,(H,29,30)