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

Systemtic Name: 1-[(4-ethoxy-3-methoxy-phenyl)-(furan-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-ethoxy-3-methoxy-phenyl)-(2-furyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-ethoxy-3-methoxyphenyl)-(2-furanyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-ethoxy-3-methoxyphenyl)-(furan-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-ethoxy-3-methoxy-phenyl)-(2-furyl)methyl]nipecotic 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)N3CCCC(C3)C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=CC=CO2)N3CCCC(C3)C(=O)O)OC

InChI

InChI=1S/C20H25NO5/c1-3-25-16-9-8-14(12-18(16)24-2)19(17-7-5-11-26-17)21-10-4-6-15(13-21)20(22)23/h5,7-9,11-12,15,19H,3-4,6,10,13H2,1-2H3,(H,22,23)