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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C=CC(=O)NC2(CCCCCC2)C(=O)O

Isomeric SMILES

CN1C=C(C=N1)/C=C/C(=O)NC2(CCCCCC2)C(=O)O

InChI

InChI=1S/C15H21N3O3/c1-18-11-12(10-16-18)6-7-13(19)17-15(14(20)21)8-4-2-3-5-9-15/h6-7,10-11H,2-5,8-9H2,1H3,(H,17,19)(H,20,21)/b7-6+