(3-chloranyl-2-oxidanyl-propyl) 4-azanyl-3-bromanyl-5-[[(1-ethylcyclohexyl)amino]methyl]benzoate

Systemtic Name: (3-chloranyl-2-oxidanyl-propyl) 4-azanyl-3-bromanyl-5-[[(1-ethylcyclohexyl)amino]methyl]benzoate Openeye Name: (3-chloro-2-hydroxy-propyl) 4-amino-3-bromo-5-[[(1-ethylcyclohexyl)amino]methyl]benzoate CAS Name: 4-amino-3-bromo-5-[[(1-ethylcyclohexyl)amino]methyl]benzoic acid (3-chloro-2-hydroxypropyl) ester IUPAC Name: (3-chloro-2-hydroxypropyl) 4-amino-3-bromo-5-[[(1-ethylcyclohexyl)amino]methyl]benzoate Traditional Name: 4-amino-3-bromo-5-[[(1-ethylcyclohexyl)amino]methyl]benzoic acid (3-chloro-2-hydroxy-propyl) ester Formula: C19H28BrClN2O3 MolecularWeight: 447.79422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCCC1)NCC2=C(C(=CC(=C2)C(=O)OCC(CCl)O)Br)N

Isomeric SMILES

CCC1(CCCCC1)NCC2=C(C(=CC(=C2)C(=O)OCC(CCl)O)Br)N

InChI

InChI=1S/C19H28BrClN2O3/c1-2-19(6-4-3-5-7-19)23-11-14-8-13(9-16(20)17(14)22)18(25)26-12-15(24)10-21/h8-9,15,23-24H,2-7,10-12,22H2,1H3