[(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 2-bromanyl-5-methoxy-benzoate

Systemtic Name: [(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 2-bromanyl-5-methoxy-benzoate Openeye Name: [(1R)-2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] 2-bromo-5-methoxy-benzoate CAS Name: 2-bromo-5-methoxybenzoic acid [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-bromo-5-methoxybenzoate Traditional Name: 2-bromo-5-methoxy-benzoic acid [(1R)-2-(cycloheptylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H24BrNO4 MolecularWeight: 398.29146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C(=O)NC1CCCCCC1)OC(=O)C2=C(C=CC(=C2)OC)Br

InChI

InChI=1S/C18H24BrNO4/c1-12(17(21)20-13-7-5-3-4-6-8-13)24-18(22)15-11-14(23-2)9-10-16(15)19/h9-13H,3-8H2,1-2H3,(H,20,21)/t12-/m1/s1