(1R,6R)-6-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1R,6R)-6-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1R,6R)-6-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1R,6R)-6-[[methyl-[(1-methyl-4-pyrazolyl)methyl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1R,6R)-6-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1R,6R)-6-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C14H19N3O3 MolecularWeight: 277.31896

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CN(C)C(=O)C2CC=CCC2C(=O)O

Isomeric SMILES

CN1C=C(C=N1)CN(C)C(=O)[C@@H]2CC=CC[C@H]2C(=O)O

InChI

InChI=1S/C14H19N3O3/c1-16(8-10-7-15-17(2)9-10)13(18)11-5-3-4-6-12(11)14(19)20/h3-4,7,9,11-12H,5-6,8H2,1-2H3,(H,19,20)/t11-,12-/m1/s1