4-[[(2S)-2-ethylpiperidin-1-yl]methyl]-5-methyl-furan-2-carboxylic acid

Systemtic Name: 4-[[(2S)-2-ethylpiperidin-1-yl]methyl]-5-methyl-furan-2-carboxylic acid Openeye Name: 4-[[(2S)-2-ethyl-1-piperidyl]methyl]-5-methyl-furan-2-carboxylic acid CAS Name: 4-[[(2S)-2-ethyl-1-piperidinyl]methyl]-5-methyl-2-furancarboxylic acid IUPAC Name: 4-[[(2S)-2-ethylpiperidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid Traditional Name: 4-[[(2S)-2-ethylpiperidino]methyl]-5-methyl-2-furoic acid Formula: C14H21NO3 MolecularWeight: 251.32144

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1CC2=C(OC(=C2)C(=O)O)C

Isomeric SMILES

CC[C@H]1CCCCN1CC2=C(OC(=C2)C(=O)O)C

InChI

InChI=1S/C14H21NO3/c1-3-12-6-4-5-7-15(12)9-11-8-13(14(16)17)18-10(11)2/h8,12H,3-7,9H2,1-2H3,(H,16,17)/t12-/m0/s1