5-chloranylpentyl 2-azanyl-3-bromanyl-5-[(4-methylpiperazin-1-yl)methyl]benzoate

Systemtic Name: 5-chloranylpentyl 2-azanyl-3-bromanyl-5-[(4-methylpiperazin-1-yl)methyl]benzoate Openeye Name: 5-chloropentyl 2-amino-3-bromo-5-[(4-methylpiperazin-1-yl)methyl]benzoate CAS Name: 2-amino-3-bromo-5-[(4-methyl-1-piperazinyl)methyl]benzoic acid 5-chloropentyl ester IUPAC Name: 5-chloropentyl 2-amino-3-bromo-5-[(4-methylpiperazin-1-yl)methyl]benzoate Traditional Name: 2-amino-3-bromo-5-[(4-methylpiperazino)methyl]benzoic acid 5-chloropentyl ester Formula: C18H27BrClN3O2 MolecularWeight: 432.78288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27BrClN3O2/c1-22-6-8-23(9-7-22)13-14-11-15(17(21)16(19)12-14)18(24)25-10-4-2-3-5-20/h11-12H,2-10,13,21H2,1H3