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

Systemtic Name: 1-[(3-phenylmethoxyphenyl)-thiophen-3-yl-methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(3-benzyloxyphenyl)-(3-thienyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3-phenylmethoxyphenyl)-(3-thiophenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3-phenylmethoxyphenyl)-thiophen-3-ylmethyl]piperidine-2-carboxylic acid Traditional Name: 1-[(3-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(=CC=C2)OCC3=CC=CC=C3)C4=CSC=C4

Isomeric SMILES

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

InChI

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