methyl 3-[(4-cyclohexylcarbonylpiperazin-1-yl)carbonylamino]benzoate

Systemtic Name: methyl 3-[(4-cyclohexylcarbonylpiperazin-1-yl)carbonylamino]benzoate Openeye Name: methyl 3-[[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]amino]benzoate CAS Name: 3-[[[4-[cyclohexyl(oxo)methyl]-1-piperazinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]amino]benzoate Traditional Name: 3-[[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]amino]benzoic acid methyl ester Formula: C20H27N3O4 MolecularWeight: 373.44608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)N2CCN(CC2)C(=O)C3CCCCC3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)N2CCN(CC2)C(=O)C3CCCCC3

InChI

InChI=1S/C20H27N3O4/c1-27-19(25)16-8-5-9-17(14-16)21-20(26)23-12-10-22(11-13-23)18(24)15-6-3-2-4-7-15/h5,8-9,14-15H,2-4,6-7,10-13H2,1H3,(H,21,26)