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

Systemtic Name: 8-oxidanyloctyl 4-azanyl-3-bromanyl-5-[[(1-ethylcyclohexyl)amino]methyl]benzoate Openeye Name: 8-hydroxyoctyl 4-amino-3-bromo-5-[[(1-ethylcyclohexyl)amino]methyl]benzoate CAS Name: 4-amino-3-bromo-5-[[(1-ethylcyclohexyl)amino]methyl]benzoic acid 8-hydroxyoctyl ester IUPAC Name: 8-hydroxyoctyl 4-amino-3-bromo-5-[[(1-ethylcyclohexyl)amino]methyl]benzoate Traditional Name: 4-amino-3-bromo-5-[[(1-ethylcyclohexyl)amino]methyl]benzoic acid 8-hydroxyoctyl ester Formula: C24H39BrN2O3 MolecularWeight: 483.48206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H39BrN2O3/c1-2-24(12-8-7-9-13-24)27-18-20-16-19(17-21(25)22(20)26)23(29)30-15-11-6-4-3-5-10-14-28/h16-17,27-28H,2-15,18,26H2,1H3