1-[(E)-3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(E)-3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoyl]piperidine-4-carboxylic acid Openeye Name: 1-[(E)-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)prop-2-enoyl]piperidine-4-carboxylic acid CAS Name: 1-[(E)-3-(5-chloro-1,3-dimethyl-4-pyrazolyl)-1-oxoprop-2-enyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]piperidine-4-carboxylic acid Traditional Name: 1-[(E)-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)acryloyl]isonipecotic acid Formula: C14H18ClN3O3 MolecularWeight: 311.76402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)N2CCC(CC2)C(=O)O)Cl)C

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)N2CCC(CC2)C(=O)O)Cl)C

InChI

InChI=1S/C14H18ClN3O3/c1-9-11(13(15)17(2)16-9)3-4-12(19)18-7-5-10(6-8-18)14(20)21/h3-4,10H,5-8H2,1-2H3,(H,20,21)/b4-3+