[2-[1-(1-adamantyl)ethylamino]-2-oxidanylidene-ethyl] 2-bromanylbenzoate

Systemtic Name: [2-[1-(1-adamantyl)ethylamino]-2-oxidanylidene-ethyl] 2-bromanylbenzoate Openeye Name: [2-[1-(1-adamantyl)ethylamino]-2-oxo-ethyl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [2-[1-(1-adamantyl)ethylamino]-2-keto-ethyl] ester Formula: C21H26BrNO3 MolecularWeight: 420.34004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)C4=CC=CC=C4Br

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)C4=CC=CC=C4Br

InChI

InChI=1S/C21H26BrNO3/c1-13(21-9-14-6-15(10-21)8-16(7-14)11-21)23-19(24)12-26-20(25)17-4-2-3-5-18(17)22/h2-5,13-16H,6-12H2,1H3,(H,23,24)