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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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