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

Systemtic Name: 1-[1-benzothiophen-2-yl-(3-phenoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[benzothiophen-2-yl-(3-phenoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1-benzothiophen-2-yl-(3-phenoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-2-yl-(3-phenoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[benzothiophen-2-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=CC5=CC=CC=C5S4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC5=CC=CC=C5S4)C(=O)O

InChI

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