ethyl 4-azanyl-3-bromanyl-5-[[cyclohexyl(methyl)amino]methyl]benzoate

Systemtic Name: ethyl 4-azanyl-3-bromanyl-5-[[cyclohexyl(methyl)amino]methyl]benzoate Openeye Name: ethyl 4-amino-3-bromo-5-[[cyclohexyl(methyl)amino]methyl]benzoate CAS Name: 4-amino-3-bromo-5-[[cyclohexyl(methyl)amino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-amino-3-bromo-5-[[cyclohexyl(methyl)amino]methyl]benzoate Traditional Name: 4-amino-3-bromo-5-[[cyclohexyl(methyl)amino]methyl]benzoic acid ethyl ester Formula: C17H25BrN2O2 MolecularWeight: 369.2966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C(=C1)Br)N)CN(C)C2CCCCC2

Isomeric SMILES

CCOC(=O)C1=CC(=C(C(=C1)Br)N)CN(C)C2CCCCC2

InChI

InChI=1S/C17H25BrN2O2/c1-3-22-17(21)12-9-13(16(19)15(18)10-12)11-20(2)14-7-5-4-6-8-14/h9-10,14H,3-8,11,19H2,1-2H3