methyl (2S)-1-cyclohexylcarbonyl-4-(phenylcarbamoyl)piperazine-2-carboxylate

Systemtic Name: methyl (2S)-1-cyclohexylcarbonyl-4-(phenylcarbamoyl)piperazine-2-carboxylate Openeye Name: methyl (2S)-1-(cyclohexanecarbonyl)-4-(phenylcarbamoyl)piperazine-2-carboxylate CAS Name: (2S)-4-[anilino(oxo)methyl]-1-[cyclohexyl(oxo)methyl]-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-(cyclohexanecarbonyl)-4-(phenylcarbamoyl)piperazine-2-carboxylate Traditional Name: (2S)-1-(cyclohexanecarbonyl)-4-(phenylcarbamoyl)piperazine-2-carboxylic acid methyl ester Formula: C20H27N3O4 MolecularWeight: 373.44608

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCN1C(=O)C2CCCCC2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@@H]1CN(CCN1C(=O)C2CCCCC2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H27N3O4/c1-27-19(25)17-14-22(20(26)21-16-10-6-3-7-11-16)12-13-23(17)18(24)15-8-4-2-5-9-15/h3,6-7,10-11,15,17H,2,4-5,8-9,12-14H2,1H3,(H,21,26)/t17-/m0/s1