4-methyl-1-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]cyclohexane-1-carboxylic acid

Systemtic Name: 4-methyl-1-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]cyclohexane-1-carboxylic acid Openeye Name: 4-methyl-1-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]cyclohexanecarboxylic acid CAS Name: 4-methyl-1-[[(E)-3-(1-methyl-4-pyrazolyl)-1-oxoprop-2-enyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-methyl-1-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 4-methyl-1-[[(E)-3-(1-methylpyrazol-4-yl)acryloyl]amino]cyclohexanecarboxylic acid Formula: C15H21N3O3 MolecularWeight: 291.34554

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)(C(=O)O)NC(=O)C=CC2=CN(N=C2)C

Isomeric SMILES

CC1CCC(CC1)(C(=O)O)NC(=O)/C=C/C2=CN(N=C2)C

InChI

InChI=1S/C15H21N3O3/c1-11-5-7-15(8-6-11,14(20)21)17-13(19)4-3-12-9-16-18(2)10-12/h3-4,9-11H,5-8H2,1-2H3,(H,17,19)(H,20,21)/b4-3+