[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 2-(4-chloranylphenoxy)ethanoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 2-(4-chloranylphenoxy)ethanoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 2-(4-chlorophenoxy)acetate CAS Name: 2-(4-chlorophenoxy)acetic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate Traditional Name: 2-(4-chlorophenoxy)acetic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C21H26ClNO4 MolecularWeight: 391.88844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)COC4=CC=C(C=C4)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)COC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H26ClNO4/c22-17-1-3-18(4-2-17)26-12-20(25)27-11-19(24)23-13-21-8-14-5-15(9-21)7-16(6-14)10-21/h1-4,14-16H,5-13H2,(H,23,24)