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

Systemtic Name: 1-[(4-ethoxy-3-methoxy-phenyl)-(furan-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-ethoxy-3-methoxy-phenyl)-(2-furyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-ethoxy-3-methoxyphenyl)-(2-furanyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-ethoxy-3-methoxyphenyl)-(furan-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-ethoxy-3-methoxy-phenyl)-(2-furyl)methyl]isonipecotic acid Formula: C20H25NO5 MolecularWeight: 359.4162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO5/c1-3-25-16-7-6-15(13-18(16)24-2)19(17-5-4-12-26-17)21-10-8-14(9-11-21)20(22)23/h4-7,12-14,19H,3,8-11H2,1-2H3,(H,22,23)