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

Systemtic Name: [2-(2-adamantylamino)-2-oxidanylidene-ethyl] 3,4-bis(chloranyl)benzoate Openeye Name: [2-(2-adamantylamino)-2-oxo-ethyl] 3,4-dichlorobenzoate CAS Name: 3,4-dichlorobenzoic acid [2-(2-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-adamantylamino)-2-oxoethyl] 3,4-dichlorobenzoate Traditional Name: 3,4-dichlorobenzoic acid [2-(2-adamantylamino)-2-keto-ethyl] ester Formula: C19H21Cl2NO3 MolecularWeight: 382.28094

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=O)COC(=O)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=O)COC(=O)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C19H21Cl2NO3/c20-15-2-1-12(8-16(15)21)19(24)25-9-17(23)22-18-13-4-10-3-11(6-13)7-14(18)5-10/h1-2,8,10-11,13-14,18H,3-7,9H2,(H,22,23)