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

Systemtic Name: 2-acetyloxyethyl 4-azanyl-3-bromanyl-5-[(4-methylpiperazin-1-yl)methyl]benzoate Openeye Name: 2-acetoxyethyl 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 2-acetyloxyethyl ester IUPAC Name: 2-acetyloxyethyl 4-amino-3-bromo-5-[(4-methylpiperazin-1-yl)methyl]benzoate Traditional Name: 4-amino-3-bromo-5-[(4-methylpiperazino)methyl]benzoic acid 2-acetoxyethyl ester Formula: C17H24BrN3O4 MolecularWeight: 414.29416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCOC(=O)C1=CC(=C(C(=C1)Br)N)CN2CCN(CC2)C

Isomeric SMILES

CC(=O)OCCOC(=O)C1=CC(=C(C(=C1)Br)N)CN2CCN(CC2)C

InChI

InChI=1S/C17H24BrN3O4/c1-12(22)24-7-8-25-17(23)13-9-14(16(19)15(18)10-13)11-21-5-3-20(2)4-6-21/h9-10H,3-8,11,19H2,1-2H3