[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 3-bromanylbenzoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 3-bromanylbenzoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C20H24BrNO3 MolecularWeight: 406.31346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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