1-[(2,4-dimethylphenyl)-(furan-2-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2,4-dimethylphenyl)-(furan-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2,4-dimethylphenyl)-(2-furyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2,4-dimethylphenyl)-(2-furanyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,4-dimethylphenyl)-(furan-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2,4-dimethylphenyl)-(2-furyl)methyl]isonipecotic acid Formula: C19H23NO3 MolecularWeight: 313.39082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C2=CC=CO2)N3CCC(CC3)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(C2=CC=CO2)N3CCC(CC3)C(=O)O)C

InChI

InChI=1S/C19H23NO3/c1-13-5-6-16(14(2)12-13)18(17-4-3-11-23-17)20-9-7-15(8-10-20)19(21)22/h3-6,11-12,15,18H,7-10H2,1-2H3,(H,21,22)