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

Systemtic Name: 6-oxidanylhexyl 4-azanyl-3-bromanyl-5-[[(1-ethylcyclohexyl)amino]methyl]benzoate Openeye Name: 6-hydroxyhexyl 4-amino-3-bromo-5-[[(1-ethylcyclohexyl)amino]methyl]benzoate CAS Name: 4-amino-3-bromo-5-[[(1-ethylcyclohexyl)amino]methyl]benzoic acid 6-hydroxyhexyl ester IUPAC Name: 6-hydroxyhexyl 4-amino-3-bromo-5-[[(1-ethylcyclohexyl)amino]methyl]benzoate Traditional Name: 4-amino-3-bromo-5-[[(1-ethylcyclohexyl)amino]methyl]benzoic acid 6-hydroxyhexyl ester Formula: C22H35BrN2O3 MolecularWeight: 455.4289

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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