1-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-[methyl-[(5-methyl-2-furyl)methyl]amino]-2-oxo-ethyl]piperidine-3-carboxylic acid CAS Name: 1-[2-[methyl-[(5-methyl-2-furanyl)methyl]amino]-2-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-keto-2-[methyl-[(5-methyl-2-furyl)methyl]amino]ethyl]nipecotic acid Formula: C15H22N2O4 MolecularWeight: 294.34618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CN(C)C(=O)CN2CCCC(C2)C(=O)O

Isomeric SMILES

CC1=CC=C(O1)CN(C)C(=O)CN2CCCC(C2)C(=O)O

InChI

InChI=1S/C15H22N2O4/c1-11-5-6-13(21-11)9-16(2)14(18)10-17-7-3-4-12(8-17)15(19)20/h5-6,12H,3-4,7-10H2,1-2H3,(H,19,20)