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

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-bromanylbenzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C19H22BrNO3 MolecularWeight: 392.28688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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