methyl (2R)-1-cyclohexylcarbonyl-4-(4-dimethylaminophenyl)carbonyl-piperazine-2-carboxylate

Systemtic Name: methyl (2R)-1-cyclohexylcarbonyl-4-(4-dimethylaminophenyl)carbonyl-piperazine-2-carboxylate Openeye Name: methyl (2R)-1-(cyclohexanecarbonyl)-4-[4-(dimethylamino)benzoyl]piperazine-2-carboxylate CAS Name: (2R)-1-[cyclohexyl(oxo)methyl]-4-[(4-dimethylaminophenyl)-oxomethyl]-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-1-(cyclohexanecarbonyl)-4-[4-(dimethylamino)benzoyl]piperazine-2-carboxylate Traditional Name: (2R)-1-(cyclohexanecarbonyl)-4-[4-(dimethylamino)benzoyl]piperazine-2-carboxylic acid methyl ester Formula: C22H31N3O4 MolecularWeight: 401.49924

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(=O)N2CCN(C(C2)C(=O)OC)C(=O)C3CCCCC3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=O)N2CCN([C@H](C2)C(=O)OC)C(=O)C3CCCCC3

InChI

InChI=1S/C22H31N3O4/c1-23(2)18-11-9-17(10-12-18)20(26)24-13-14-25(19(15-24)22(28)29-3)21(27)16-7-5-4-6-8-16/h9-12,16,19H,4-8,13-15H2,1-3H3/t19-/m1/s1