1-[furan-2-yl-(2-methylphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[furan-2-yl-(2-methylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-furyl(o-tolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[2-furanyl-(2-methylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[furan-2-yl-(2-methylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-furyl(o-tolyl)methyl]nipecotic acid Formula: C18H21NO3 MolecularWeight: 299.36424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC=CO2)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(C2=CC=CO2)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C18H21NO3/c1-13-6-2-3-8-15(13)17(16-9-5-11-22-16)19-10-4-7-14(12-19)18(20)21/h2-3,5-6,8-9,11,14,17H,4,7,10,12H2,1H3,(H,20,21)