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

Systemtic Name: 1-[(3-ethoxy-4-phenylmethoxy-phenyl)-(furan-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(2-furyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-(2-furanyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-(furan-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(2-furyl)methyl]isonipecotic acid Formula: C26H29NO5 MolecularWeight: 435.51216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=CC=CO2)N3CCC(CC3)C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC=CO2)N3CCC(CC3)C(=O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H29NO5/c1-2-30-24-17-21(10-11-22(24)32-18-19-7-4-3-5-8-19)25(23-9-6-16-31-23)27-14-12-20(13-15-27)26(28)29/h3-11,16-17,20,25H,2,12-15,18H2,1H3,(H,28,29)