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

Systemtic Name: 1-[1-benzothiophen-2-yl-(3-phenoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-2-yl-(3-phenoxyphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-2-yl-(3-phenoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-2-yl-(3-phenoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-2-yl-(3-phenoxyphenyl)methyl]pipecolinic acid Formula: C27H25NO3S MolecularWeight: 443.5573

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC5=CC=CC=C5S4

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC5=CC=CC=C5S4

InChI

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