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

Systemtic Name: 1-[(4-phenylmethoxyphenyl)-thiophen-3-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-benzyloxyphenyl)-(3-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-phenylmethoxyphenyl)-(3-thiophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-phenylmethoxyphenyl)-thiophen-3-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-benzoxyphenyl)-(3-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=CSC=C4)C(=O)O

Isomeric SMILES

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

InChI

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