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

Systemtic Name: 4-oxidanylbutyl 4-azanyl-3-bromanyl-5-[[(1-ethylcyclopentyl)amino]methyl]benzoate Openeye Name: 4-hydroxybutyl 4-amino-3-bromo-5-[[(1-ethylcyclopentyl)amino]methyl]benzoate CAS Name: 4-amino-3-bromo-5-[[(1-ethylcyclopentyl)amino]methyl]benzoic acid 4-hydroxybutyl ester IUPAC Name: 4-hydroxybutyl 4-amino-3-bromo-5-[[(1-ethylcyclopentyl)amino]methyl]benzoate Traditional Name: 4-amino-3-bromo-5-[[(1-ethylcyclopentyl)amino]methyl]benzoic acid 4-hydroxybutyl ester Formula: C19H29BrN2O3 MolecularWeight: 413.34916

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCC1)NCC2=C(C(=CC(=C2)C(=O)OCCCCO)Br)N

Isomeric SMILES

CCC1(CCCC1)NCC2=C(C(=CC(=C2)C(=O)OCCCCO)Br)N

InChI

InChI=1S/C19H29BrN2O3/c1-2-19(7-3-4-8-19)22-13-15-11-14(12-16(20)17(15)21)18(24)25-10-6-5-9-23/h11-12,22-23H,2-10,13,21H2,1H3