5-oxidanylpentyl 4-azanyl-3-bromanyl-5-[(4-methylpiperazin-1-yl)methyl]benzoate

Systemtic Name: 5-oxidanylpentyl 4-azanyl-3-bromanyl-5-[(4-methylpiperazin-1-yl)methyl]benzoate Openeye Name: 5-hydroxypentyl 4-amino-3-bromo-5-[(4-methylpiperazin-1-yl)methyl]benzoate CAS Name: 4-amino-3-bromo-5-[(4-methyl-1-piperazinyl)methyl]benzoic acid 5-hydroxypentyl ester IUPAC Name: 5-hydroxypentyl 4-amino-3-bromo-5-[(4-methylpiperazin-1-yl)methyl]benzoate Traditional Name: 4-amino-3-bromo-5-[(4-methylpiperazino)methyl]benzoic acid 5-hydroxypentyl ester Formula: C18H28BrN3O3 MolecularWeight: 414.33722

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=C(C(=CC(=C2)C(=O)OCCCCCO)Br)N

Isomeric SMILES

CN1CCN(CC1)CC2=C(C(=CC(=C2)C(=O)OCCCCCO)Br)N

InChI

InChI=1S/C18H28BrN3O3/c1-21-5-7-22(8-6-21)13-15-11-14(12-16(19)17(15)20)18(24)25-10-4-2-3-9-23/h11-12,23H,2-10,13,20H2,1H3