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

Systemtic Name: 9-oxidanylnonyl 4-azanyl-3-bromanyl-5-[[(1-ethylcyclohexyl)amino]methyl]benzoate Openeye Name: 9-hydroxynonyl 4-amino-3-bromo-5-[[(1-ethylcyclohexyl)amino]methyl]benzoate CAS Name: 4-amino-3-bromo-5-[[(1-ethylcyclohexyl)amino]methyl]benzoic acid 9-hydroxynonyl ester IUPAC Name: 9-hydroxynonyl 4-amino-3-bromo-5-[[(1-ethylcyclohexyl)amino]methyl]benzoate Traditional Name: 4-amino-3-bromo-5-[[(1-ethylcyclohexyl)amino]methyl]benzoic acid 9-hydroxynonyl ester Formula: C25H41BrN2O3 MolecularWeight: 497.50864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H41BrN2O3/c1-2-25(13-9-8-10-14-25)28-19-21-17-20(18-22(26)23(21)27)24(30)31-16-12-7-5-3-4-6-11-15-29/h17-18,28-29H,2-16,19,27H2,1H3