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

Systemtic Name: 5-oxidanylpentyl 4-azanyl-3-bromanyl-5-[[(1-propylcyclohexyl)amino]methyl]benzoate Openeye Name: 5-hydroxypentyl 4-amino-3-bromo-5-[[(1-propylcyclohexyl)amino]methyl]benzoate CAS Name: 4-amino-3-bromo-5-[[(1-propylcyclohexyl)amino]methyl]benzoic acid 5-hydroxypentyl ester IUPAC Name: 5-hydroxypentyl 4-amino-3-bromo-5-[[(1-propylcyclohexyl)amino]methyl]benzoate Traditional Name: 4-amino-3-bromo-5-[[(1-propylcyclohexyl)amino]methyl]benzoic acid 5-hydroxypentyl ester Formula: C22H35BrN2O3 MolecularWeight: 455.4289

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CCCCC1)NCC2=C(C(=CC(=C2)C(=O)OCCCCCO)Br)N

Isomeric SMILES

CCCC1(CCCCC1)NCC2=C(C(=CC(=C2)C(=O)OCCCCCO)Br)N

InChI

InChI=1S/C22H35BrN2O3/c1-2-9-22(10-5-3-6-11-22)25-16-18-14-17(15-19(23)20(18)24)21(27)28-13-8-4-7-12-26/h14-15,25-26H,2-13,16,24H2,1H3