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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CSC=C2)C3=CC=CC=C3OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CSC=C2)C3=CC=CC=C3OCC4=CC=CC=C4

InChI

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