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

Systemtic Name: 1-[(4-phenylmethoxyphenyl)-thiophen-2-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-benzyloxyphenyl)-(2-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-phenylmethoxyphenyl)-thiophen-2-ylmethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-phenylmethoxyphenyl)-thiophen-2-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-benzoxyphenyl)-(2-thienyl)methyl]nipecotic acid Formula: C24H25NO3S MolecularWeight: 407.5252

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC=CS4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC=CS4)C(=O)O

InChI

InChI=1S/C24H25NO3S/c26-24(27)20-8-4-14-25(16-20)23(22-9-5-15-29-22)19-10-12-21(13-11-19)28-17-18-6-2-1-3-7-18/h1-3,5-7,9-13,15,20,23H,4,8,14,16-17H2,(H,26,27)