4-oxidanylbutyl 4-azanyl-3-bromanyl-5-[[(1-ethylcycloheptyl)amino]methyl]benzoate

Systemtic Name: 4-oxidanylbutyl 4-azanyl-3-bromanyl-5-[[(1-ethylcycloheptyl)amino]methyl]benzoate Openeye Name: 4-hydroxybutyl 4-amino-3-bromo-5-[[(1-ethylcycloheptyl)amino]methyl]benzoate CAS Name: 4-amino-3-bromo-5-[[(1-ethylcycloheptyl)amino]methyl]benzoic acid 4-hydroxybutyl ester IUPAC Name: 4-hydroxybutyl 4-amino-3-bromo-5-[[(1-ethylcycloheptyl)amino]methyl]benzoate Traditional Name: 4-amino-3-bromo-5-[[(1-ethylcycloheptyl)amino]methyl]benzoic acid 4-hydroxybutyl ester Formula: C21H33BrN2O3 MolecularWeight: 441.40232

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCCCC1)NCC2=C(C(=CC(=C2)C(=O)OCCCCO)Br)N

Isomeric SMILES

CCC1(CCCCCC1)NCC2=C(C(=CC(=C2)C(=O)OCCCCO)Br)N

InChI

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