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

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-bromanylbenzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C19H22BrNO3 MolecularWeight: 392.28688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22BrNO3/c20-16-3-1-2-15(7-16)18(23)24-11-17(22)21-19-8-12-4-13(9-19)6-14(5-12)10-19/h1-3,7,12-14H,4-6,8-11H2,(H,21,22)