(5-methyl-2-propan-2-yl-cyclohexyl) 2-(3-chloranyl-4-methyl-phenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-(3-chloranyl-4-methyl-phenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-(3-chloro-4-methyl-phenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(3-chloro-4-methylphenyl)-1,3-dioxo-5-isoindolecarboxylic acid (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 2-(3-chloro-4-methylphenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-(3-chloro-4-methyl-phenyl)-1,3-diketo-isoindoline-5-carboxylic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C26H28ClNO4 MolecularWeight: 453.95782

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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(=C(C=C4)C)Cl)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H28ClNO4/c1-14(2)19-9-5-15(3)11-23(19)32-26(31)17-7-10-20-21(12-17)25(30)28(24(20)29)18-8-6-16(4)22(27)13-18/h6-8,10,12-15,19,23H,5,9,11H2,1-4H3