[1-(cyclopropylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-cyclohexyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: [1-(cyclopropylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-cyclohexyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: [2-(cyclopropylcarbamoylamino)-1-methyl-2-oxo-ethyl] 2-cyclohexyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-cyclohexyl-1,3-dioxo-5-isoindolecarboxylic acid [1-[[(cyclopropylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-cyclohexyl-1,3-diketo-isoindoline-5-carboxylic acid [2-(cyclopropylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H25N3O6 MolecularWeight: 427.4504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CC1)OC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4CCCCC4

Isomeric SMILES

CC(C(=O)NC(=O)NC1CC1)OC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4CCCCC4

InChI

InChI=1S/C22H25N3O6/c1-12(18(26)24-22(30)23-14-8-9-14)31-21(29)13-7-10-16-17(11-13)20(28)25(19(16)27)15-5-3-2-4-6-15/h7,10-12,14-15H,2-6,8-9H2,1H3,(H2,23,24,26,30)