1-[(3-phenoxyphenyl)-thiophen-2-yl-methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3-phenoxyphenyl)-thiophen-2-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-phenoxyphenyl)-(2-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-phenoxyphenyl)-thiophen-2-ylmethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-phenoxyphenyl)-thiophen-2-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-phenoxyphenyl)-(2-thienyl)methyl]isonipecotic acid Formula: C23H23NO3S MolecularWeight: 393.49862

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC=CS4

InChI

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