5-oxidanylpentyl 2-azanyl-3-bromanyl-5-[[(1-ethylcyclohexyl)amino]methyl]benzoate

Systemtic Name: 5-oxidanylpentyl 2-azanyl-3-bromanyl-5-[[(1-ethylcyclohexyl)amino]methyl]benzoate Openeye Name: 5-hydroxypentyl 2-amino-3-bromo-5-[[(1-ethylcyclohexyl)amino]methyl]benzoate CAS Name: 2-amino-3-bromo-5-[[(1-ethylcyclohexyl)amino]methyl]benzoic acid 5-hydroxypentyl ester IUPAC Name: 5-hydroxypentyl 2-amino-3-bromo-5-[[(1-ethylcyclohexyl)amino]methyl]benzoate Traditional Name: 2-amino-3-bromo-5-[[(1-ethylcyclohexyl)amino]methyl]benzoic acid 5-hydroxypentyl ester Formula: C21H33BrN2O3 MolecularWeight: 441.40232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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