[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-(3,4-dichlorophenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-(3,4-dichlorophenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-(3,4-dichlorophenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(3,4-dichlorophenyl)-1,3-dioxo-5-isoindolecarboxylic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-(3,4-dichlorophenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-(3,4-dichlorophenyl)-1,3-diketo-isoindoline-5-carboxylic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C27H24Cl2N2O5 MolecularWeight: 527.39586

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC5=C(C=C4)C(=O)N(C5=O)C6=CC(=C(C=C6)Cl)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC5=C(C=C4)C(=O)N(C5=O)C6=CC(=C(C=C6)Cl)Cl

InChI

InChI=1S/C27H24Cl2N2O5/c28-21-4-2-18(9-22(21)29)31-24(33)19-3-1-17(8-20(19)25(31)34)26(35)36-13-23(32)30-27-10-14-5-15(11-27)7-16(6-14)12-27/h1-4,8-9,14-16H,5-7,10-13H2,(H,30,32)