4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-5-methyl-furan-2-carboxylic acid

Systemtic Name: 4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-5-methyl-furan-2-carboxylic acid Openeye Name: 4-[[(3S,5S)-3,5-dimethyl-1-piperidyl]methyl]-5-methyl-furan-2-carboxylic acid CAS Name: 4-[[(3S,5S)-3,5-dimethyl-1-piperidinyl]methyl]-5-methyl-2-furancarboxylic acid IUPAC Name: 4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid Traditional Name: 4-[[(3S,5S)-3,5-dimethylpiperidino]methyl]-5-methyl-2-furoic acid Formula: C14H21NO3 MolecularWeight: 251.32144

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)CC2=C(OC(=C2)C(=O)O)C)C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)CC2=C(OC(=C2)C(=O)O)C)C

InChI

InChI=1S/C14H21NO3/c1-9-4-10(2)7-15(6-9)8-12-5-13(14(16)17)18-11(12)3/h5,9-10H,4,6-8H2,1-3H3,(H,16,17)/t9-,10-/m0/s1