[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 2-(pyrazin-2-ylcarbonylamino)benzoate

Systemtic Name: [(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 2-(pyrazin-2-ylcarbonylamino)benzoate Openeye Name: [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] 2-(pyrazine-2-carbonylamino)benzoate CAS Name: 2-[[oxo(2-pyrazinyl)methyl]amino]benzoic acid [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-(pyrazine-2-carbonylamino)benzoate Traditional Name: 2-(pyrazinoylamino)benzoic acid [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2=CC=CC=C2NC(=O)C3=NC=CN=C3)C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)OC(=O)C2=CC=CC=C2NC(=O)C3=NC=CN=C3)C(C)C

InChI

InChI=1S/C22H27N3O3/c1-14(2)16-9-8-15(3)12-20(16)28-22(27)17-6-4-5-7-18(17)25-21(26)19-13-23-10-11-24-19/h4-7,10-11,13-16,20H,8-9,12H2,1-3H3,(H,25,26)/t15-,16+,20-/m0/s1