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

Systemtic Name: 1-[(3-phenoxyphenyl)-thiophen-2-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-phenoxyphenyl)-(2-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-phenoxyphenyl)-thiophen-2-ylmethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-phenoxyphenyl)-thiophen-2-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-phenoxyphenyl)-(2-thienyl)methyl]nipecotic acid Formula: C23H23NO3S MolecularWeight: 393.49862

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC=CS4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC=CS4)C(=O)O

InChI

InChI=1S/C23H23NO3S/c25-23(26)18-8-5-13-24(16-18)22(21-12-6-14-28-21)17-7-4-11-20(15-17)27-19-9-2-1-3-10-19/h1-4,6-7,9-12,14-15,18,22H,5,8,13,16H2,(H,25,26)