[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 3,4-bis(chloranyl)benzoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 3,4-bis(chloranyl)benzoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 3,4-dichlorobenzoate CAS Name: 3,4-dichlorobenzoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 3,4-dichlorobenzoate Traditional Name: 3,4-dichlorobenzoic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C20H23Cl2NO3 MolecularWeight: 396.30752

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C20H23Cl2NO3/c21-16-2-1-15(6-17(16)22)19(25)26-10-18(24)23-11-20-7-12-3-13(8-20)5-14(4-12)9-20/h1-2,6,12-14H,3-5,7-11H2,(H,23,24)