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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CSC5=CC=CC=C54)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CSC5=CC=CC=C54)C(=O)O

InChI

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