2-acetyloxyethyl 4-azanyl-3-bromanyl-5-[[methyl-(phenylmethyl)amino]methyl]benzoate

Systemtic Name: 2-acetyloxyethyl 4-azanyl-3-bromanyl-5-[[methyl-(phenylmethyl)amino]methyl]benzoate Openeye Name: 2-acetoxyethyl 4-amino-3-[[benzyl(methyl)amino]methyl]-5-bromo-benzoate CAS Name: 4-amino-3-bromo-5-[[methyl-(phenylmethyl)amino]methyl]benzoic acid 2-acetyloxyethyl ester IUPAC Name: 2-acetyloxyethyl 4-amino-3-[[benzyl(methyl)amino]methyl]-5-bromobenzoate Traditional Name: 4-amino-3-[[benzyl(methyl)amino]methyl]-5-bromo-benzoic acid 2-acetoxyethyl ester Formula: C20H23BrN2O4 MolecularWeight: 435.31162

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCOC(=O)C1=CC(=C(C(=C1)Br)N)CN(C)CC2=CC=CC=C2

Isomeric SMILES

CC(=O)OCCOC(=O)C1=CC(=C(C(=C1)Br)N)CN(C)CC2=CC=CC=C2

InChI

InChI=1S/C20H23BrN2O4/c1-14(24)26-8-9-27-20(25)16-10-17(19(22)18(21)11-16)13-23(2)12-15-6-4-3-5-7-15/h3-7,10-11H,8-9,12-13,22H2,1-2H3