[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 4-bromanylbenzoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 4-bromanylbenzoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C20H24BrNO3 MolecularWeight: 406.31346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24BrNO3/c21-17-3-1-16(2-4-17)19(24)25-11-18(23)22-12-20-8-13-5-14(9-20)7-15(6-13)10-20/h1-4,13-15H,5-12H2,(H,22,23)