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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CSC=C4

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CSC=C4

InChI

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