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

Systemtic Name: 4-oxidanylbutyl 4-azanyl-3-bromanyl-5-[(4-methylpiperazin-1-yl)methyl]benzoate Openeye Name: 4-hydroxybutyl 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 4-hydroxybutyl ester IUPAC Name: 4-hydroxybutyl 4-amino-3-bromo-5-[(4-methylpiperazin-1-yl)methyl]benzoate Traditional Name: 4-amino-3-bromo-5-[(4-methylpiperazino)methyl]benzoic acid 4-hydroxybutyl ester Formula: C17H26BrN3O3 MolecularWeight: 400.31064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26BrN3O3/c1-20-4-6-21(7-5-20)12-14-10-13(11-15(18)16(14)19)17(23)24-9-3-2-8-22/h10-11,22H,2-9,12,19H2,1H3