ethyl 2-[4-[(1-adamantylamino)methyl]-2-chloranyl-6-methoxy-phenoxy]ethanoate hydrochloride

Systemtic Name: ethyl 2-[4-[(1-adamantylamino)methyl]-2-chloranyl-6-methoxy-phenoxy]ethanoate hydrochloride Openeye Name: ethyl 2-[4-[(1-adamantylamino)methyl]-2-chloro-6-methoxy-phenoxy]acetate hydrochloride CAS Name: 2-[4-[(1-adamantylamino)methyl]-2-chloro-6-methoxyphenoxy]acetic acid ethyl ester hydrochloride IUPAC Name: ethyl 2-[4-[(1-adamantylamino)methyl]-2-chloro-6-methoxyphenoxy]acetate hydrochloride Traditional Name: 2-[4-[(1-adamantylamino)methyl]-2-chloro-6-methoxy-phenoxy]acetic acid ethyl ester hydrochloride Formula: C22H31Cl2NO4 MolecularWeight: 444.39184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=C(C=C(C=C1Cl)CNC23CC4CC(C2)CC(C4)C3)OC.Cl

Isomeric SMILES

CCOC(=O)COC1=C(C=C(C=C1Cl)CNC23CC4CC(C2)CC(C4)C3)OC.Cl

InChI

InChI=1S/C22H30ClNO4.ClH/c1-3-27-20(25)13-28-21-18(23)7-17(8-19(21)26-2)12-24-22-9-14-4-15(10-22)6-16(5-14)11-22;/h7-8,14-16,24H,3-6,9-13H2,1-2H3;1H