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

Systemtic Name: 1-[(3,5-dimethoxy-4-phenylmethoxy-phenyl)-(furan-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3,5-dimethoxy-phenyl)-(2-furyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-(2-furanyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-(furan-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-benzoxy-3,5-dimethoxy-phenyl)-(2-furyl)methyl]nipecotic acid Formula: C26H29NO6 MolecularWeight: 451.51156

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=CC=CO3)N4CCCC(C4)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=CC=CO3)N4CCCC(C4)C(=O)O

InChI

InChI=1S/C26H29NO6/c1-30-22-14-20(15-23(31-2)25(22)33-17-18-8-4-3-5-9-18)24(21-11-7-13-32-21)27-12-6-10-19(16-27)26(28)29/h3-5,7-9,11,13-15,19,24H,6,10,12,16-17H2,1-2H3,(H,28,29)