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

Systemtic Name: [1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 3-bromanylbenzoate Openeye Name: [2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [1-(cycloheptylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cycloheptylamino)-1-oxopropan-2-yl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [2-(cycloheptylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H22BrNO3 MolecularWeight: 368.26548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)OC(=O)C2=CC(=CC=C2)Br

Isomeric SMILES

CC(C(=O)NC1CCCCCC1)OC(=O)C2=CC(=CC=C2)Br

InChI

InChI=1S/C17H22BrNO3/c1-12(16(20)19-15-9-4-2-3-5-10-15)22-17(21)13-7-6-8-14(18)11-13/h6-8,11-12,15H,2-5,9-10H2,1H3,(H,19,20)