3-(2-adamantylamino)propyl 2-(4-chloranylphenoxy)ethanoate hydrochloride

Systemtic Name: 3-(2-adamantylamino)propyl 2-(4-chloranylphenoxy)ethanoate hydrochloride Openeye Name: 3-(2-adamantylamino)propyl 2-(4-chlorophenoxy)acetate hydrochloride CAS Name: 2-(4-chlorophenoxy)acetic acid 3-(2-adamantylamino)propyl ester hydrochloride IUPAC Name: 3-(2-adamantylamino)propyl 2-(4-chlorophenoxy)acetate hydrochloride Traditional Name: 2-(4-chlorophenoxy)acetic acid 3-(2-adamantylamino)propyl ester hydrochloride Formula: C21H29Cl2NO3 MolecularWeight: 414.36586

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NCCCOC(=O)COC4=CC=C(C=C4)Cl.Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NCCCOC(=O)COC4=CC=C(C=C4)Cl.Cl

InChI

InChI=1S/C21H28ClNO3.ClH/c22-18-2-4-19(5-3-18)26-13-20(24)25-7-1-6-23-21-16-9-14-8-15(11-16)12-17(21)10-14;/h2-5,14-17,21,23H,1,6-13H2;1H