[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-azanyl-3,5-bis(chloranyl)benzoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-azanyl-3,5-bis(chloranyl)benzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-amino-3,5-dichloro-benzoate CAS Name: 2-amino-3,5-dichlorobenzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate Traditional Name: 2-amino-3,5-dichloro-benzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C19H22Cl2N2O3 MolecularWeight: 397.29558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC(=CC(=C4N)Cl)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC(=CC(=C4N)Cl)Cl

InChI

InChI=1S/C19H22Cl2N2O3/c20-13-4-14(17(22)15(21)5-13)18(25)26-9-16(24)23-19-6-10-1-11(7-19)3-12(2-10)8-19/h4-5,10-12H,1-3,6-9,22H2,(H,23,24)