(1R,6S)-6-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1R,6S)-6-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1R,6S)-6-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1R,6S)-6-[[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methylamino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1R,6S)-6-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1R,6S)-6-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)C3CC=CCC3C(=O)O

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)[C@H]3CC=CC[C@H]3C(=O)O

InChI

InChI=1S/C20H23N3O3/c1-13-18(14(2)23(22-13)15-8-4-3-5-9-15)12-21-19(24)16-10-6-7-11-17(16)20(25)26/h3-9,16-17H,10-12H2,1-2H3,(H,21,24)(H,25,26)/t16-,17+/m0/s1