[1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 3-bromanylbenzoate

Systemtic Name: [1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 3-bromanylbenzoate Openeye Name: [2-(cyclohexylamino)-1-methyl-2-oxo-ethyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [1-(cyclohexylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclohexylamino)-1-oxopropan-2-yl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [2-(cyclohexylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H20BrNO3 MolecularWeight: 354.2389

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)OC(=O)C2=CC(=CC=C2)Br

Isomeric SMILES

CC(C(=O)NC1CCCCC1)OC(=O)C2=CC(=CC=C2)Br

InChI

InChI=1S/C16H20BrNO3/c1-11(15(19)18-14-8-3-2-4-9-14)21-16(20)12-6-5-7-13(17)10-12/h5-7,10-11,14H,2-4,8-9H2,1H3,(H,18,19)