1-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]piperidine-3-carboxylic acid Openeye Name: 1-[(E)-3-(5-methyl-2-furyl)prop-2-enoyl]piperidine-3-carboxylic acid CAS Name: 1-[(E)-3-(5-methyl-2-furanyl)-1-oxoprop-2-enyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]piperidine-3-carboxylic acid Traditional Name: 1-[(E)-3-(5-methyl-2-furyl)acryloyl]nipecotic acid Formula: C14H17NO4 MolecularWeight: 263.28908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C=CC(=O)N2CCCC(C2)C(=O)O

Isomeric SMILES

CC1=CC=C(O1)/C=C/C(=O)N2CCCC(C2)C(=O)O

InChI

InChI=1S/C14H17NO4/c1-10-4-5-12(19-10)6-7-13(16)15-8-2-3-11(9-15)14(17)18/h4-7,11H,2-3,8-9H2,1H3,(H,17,18)/b7-6+