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

Systemtic Name: 1-[furan-2-yl-(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)-(2-furyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[2-furanyl-(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[furan-2-yl-(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-methoxy-phenyl)-(2-furyl)methyl]nipecotic acid Formula: C25H27NO5 MolecularWeight: 421.48558

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C2=CC=CO2)N3CCCC(C3)C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(C2=CC=CO2)N3CCCC(C3)C(=O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H27NO5/c1-29-23-15-19(11-12-21(23)31-17-18-7-3-2-4-8-18)24(22-10-6-14-30-22)26-13-5-9-20(16-26)25(27)28/h2-4,6-8,10-12,14-15,20,24H,5,9,13,16-17H2,1H3,(H,27,28)