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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=CC=CO2)N3CCCCC3C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC=CO2)N3CCCCC3C(=O)O)OCC4=CC=CC=C4

InChI

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