1-[(3,5-dimethoxy-4-phenylmethoxy-phenyl)-thiophen-2-yl-methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(3,5-dimethoxy-4-phenylmethoxy-phenyl)-thiophen-2-yl-methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3,5-dimethoxy-phenyl)-(2-thienyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-thiophen-2-ylmethyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-thiophen-2-ylmethyl]piperidine-2-carboxylic acid Traditional Name: 1-[(4-benzoxy-3,5-dimethoxy-phenyl)-(2-thienyl)methyl]pipecolinic acid Formula: C26H29NO5S MolecularWeight: 467.57716

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=CC=CS3)N4CCCCC4C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=CC=CS3)N4CCCCC4C(=O)O

InChI

InChI=1S/C26H29NO5S/c1-30-21-15-19(16-22(31-2)25(21)32-17-18-9-4-3-5-10-18)24(23-12-8-14-33-23)27-13-7-6-11-20(27)26(28)29/h3-5,8-10,12,14-16,20,24H,6-7,11,13,17H2,1-2H3,(H,28,29)