5-oxidanylpentyl 4-azanyl-3-bromanyl-5-[[(1-ethylcyclohexyl)amino]methyl]benzoate

Systemtic Name: 5-oxidanylpentyl 4-azanyl-3-bromanyl-5-[[(1-ethylcyclohexyl)amino]methyl]benzoate Openeye Name: 5-hydroxypentyl 4-amino-3-bromo-5-[[(1-ethylcyclohexyl)amino]methyl]benzoate CAS Name: 4-amino-3-bromo-5-[[(1-ethylcyclohexyl)amino]methyl]benzoic acid 5-hydroxypentyl ester IUPAC Name: 5-hydroxypentyl 4-amino-3-bromo-5-[[(1-ethylcyclohexyl)amino]methyl]benzoate Traditional Name: 4-amino-3-bromo-5-[[(1-ethylcyclohexyl)amino]methyl]benzoic acid 5-hydroxypentyl ester Formula: C21H33BrN2O3 MolecularWeight: 441.40232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33BrN2O3/c1-2-21(9-5-3-6-10-21)24-15-17-13-16(14-18(22)19(17)23)20(26)27-12-8-4-7-11-25/h13-14,24-25H,2-12,15,23H2,1H3