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

Systemtic Name: 1-[1-benzothiophen-3-yl-(3-phenoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(3-phenoxyphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(3-phenoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(3-phenoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-3-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=CSC5=CC=CC=C54

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CSC5=CC=CC=C54

InChI

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