[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 2-(3,4-dichlorophenyl)ethanoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 2-(3,4-dichlorophenyl)ethanoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 2-(3,4-dichlorophenyl)acetate CAS Name: 2-(3,4-dichlorophenyl)acetic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate Traditional Name: 2-(3,4-dichlorophenyl)acetic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C21H25Cl2NO3 MolecularWeight: 410.3341

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)CC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)CC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H25Cl2NO3/c22-17-2-1-13(6-18(17)23)7-20(26)27-11-19(25)24-12-21-8-14-3-15(9-21)5-16(4-14)10-21/h1-2,6,14-16H,3-5,7-12H2,(H,24,25)