(5-methyl-2-propan-2-yl-cyclohexyl) 2-(2-chlorophenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-(2-chlorophenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-(2-chlorophenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(2-chlorophenyl)-1,3-dioxo-5-isoindolecarboxylic acid (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-(2-chlorophenyl)-1,3-diketo-isoindoline-5-carboxylic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C25H26ClNO4 MolecularWeight: 439.93124

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=CC=C4Cl)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=CC=C4Cl)C(C)C

InChI

InChI=1S/C25H26ClNO4/c1-14(2)17-10-8-15(3)12-22(17)31-25(30)16-9-11-18-19(13-16)24(29)27(23(18)28)21-7-5-4-6-20(21)26/h4-7,9,11,13-15,17,22H,8,10,12H2,1-3H3