2-methyl-5-(2-methylpropyl)-4-(piperidin-1-ylmethyl)furan-3-carboxylic acid

Systemtic Name: 2-methyl-5-(2-methylpropyl)-4-(piperidin-1-ylmethyl)furan-3-carboxylic acid Openeye Name: 5-isobutyl-2-methyl-4-(1-piperidylmethyl)furan-3-carboxylic acid CAS Name: 2-methyl-5-(2-methylpropyl)-4-(1-piperidinylmethyl)-3-furancarboxylic acid IUPAC Name: 2-methyl-5-(2-methylpropyl)-4-(piperidin-1-ylmethyl)furan-3-carboxylic acid Traditional Name: 5-isobutyl-2-methyl-4-(piperidinomethyl)-3-furoic acid Formula: C16H25NO3 MolecularWeight: 279.3746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(O1)CC(C)C)CN2CCCCC2)C(=O)O

Isomeric SMILES

CC1=C(C(=C(O1)CC(C)C)CN2CCCCC2)C(=O)O

InChI

InChI=1S/C16H25NO3/c1-11(2)9-14-13(10-17-7-5-4-6-8-17)15(16(18)19)12(3)20-14/h11H,4-10H2,1-3H3,(H,18,19)