4-[1-[2,5-bis(oxidanylidene)pyrrol-1-yl]-5-methyl-2-propan-2-yl-cyclohexyl]cyclohexane-1-carboxylate

Systemtic Name: 4-[1-[2,5-bis(oxidanylidene)pyrrol-1-yl]-5-methyl-2-propan-2-yl-cyclohexyl]cyclohexane-1-carboxylate Openeye Name: 4-[1-(2,5-dioxopyrrol-1-yl)-2-isopropyl-5-methyl-cyclohexyl]cyclohexanecarboxylate CAS Name: 4-[1-(2,5-dioxo-1-pyrrolyl)-5-methyl-2-propan-2-ylcyclohexyl]-1-cyclohexanecarboxylate IUPAC Name: 4-[1-(2,5-dioxopyrrol-1-yl)-5-methyl-2-propan-2-ylcyclohexyl]cyclohexane-1-carboxylate Traditional Name: 4-(2-isopropyl-1-maleimido-5-methyl-cyclohexyl)cyclohexanecarboxylate Formula: C21H30NO4- MolecularWeight: 360.4672

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)(C2CCC(CC2)C(=O)[O-])N3C(=O)C=CC3=O)C(C)C

Isomeric SMILES

CC1CCC(C(C1)(C2CCC(CC2)C(=O)[O-])N3C(=O)C=CC3=O)C(C)C

InChI

InChI=1S/C21H31NO4/c1-13(2)17-9-4-14(3)12-21(17,22-18(23)10-11-19(22)24)16-7-5-15(6-8-16)20(25)26/h10-11,13-17H,4-9,12H2,1-3H3,(H,25,26)/p-1