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

Systemtic Name: 1-[(3,5-dimethoxy-4-phenylmethoxy-phenyl)-thiophen-3-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3,5-dimethoxy-phenyl)-(3-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-(3-thiophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-thiophen-3-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-benzoxy-3,5-dimethoxy-phenyl)-(3-thienyl)methyl]isonipecotic 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=CSC=C3)N4CCC(CC4)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=CSC=C3)N4CCC(CC4)C(=O)O

InChI

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