6-[[(E)-3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoyl]amino]hexanoic acid

Systemtic Name: 6-[[(E)-3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoyl]amino]hexanoic acid Openeye Name: 6-[[(E)-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)prop-2-enoyl]amino]hexanoic acid CAS Name: 6-[[(E)-3-(5-chloro-1,3-dimethyl-4-pyrazolyl)-1-oxoprop-2-enyl]amino]hexanoic acid IUPAC Name: 6-[[(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]amino]hexanoic acid Traditional Name: 6-[[(E)-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)acryloyl]amino]hexanoic acid Formula: C14H20ClN3O3 MolecularWeight: 313.7799

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)NCCCCCC(=O)O)Cl)C

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)NCCCCCC(=O)O)Cl)C

InChI

InChI=1S/C14H20ClN3O3/c1-10-11(14(15)18(2)17-10)7-8-12(19)16-9-5-3-4-6-13(20)21/h7-8H,3-6,9H2,1-2H3,(H,16,19)(H,20,21)/b8-7+