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

Systemtic Name: 1-[(3-phenoxyphenyl)-thiophen-3-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-phenoxyphenyl)-(3-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-phenoxyphenyl)-(3-thiophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-phenoxyphenyl)-thiophen-3-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-phenoxyphenyl)-(3-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=CSC=C4)C(=O)O

Isomeric SMILES

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

InChI

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