1-hydroxyethyl 4-azanyl-3-bromanyl-5-(diethylaminomethyl)benzoate

Systemtic Name: 1-hydroxyethyl 4-azanyl-3-bromanyl-5-(diethylaminomethyl)benzoate Openeye Name: 1-hydroxyethyl 4-amino-3-bromo-5-(diethylaminomethyl)benzoate CAS Name: 4-amino-3-bromo-5-(diethylaminomethyl)benzoic acid 1-hydroxyethyl ester IUPAC Name: 1-hydroxyethyl 4-amino-3-bromo-5-(diethylaminomethyl)benzoate Traditional Name: 4-amino-3-bromo-5-(diethylaminomethyl)benzoic acid 1-hydroxyethyl ester Formula: C14H21BrN2O3 MolecularWeight: 345.23214

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=C(C(=CC(=C1)C(=O)OC(C)O)Br)N

Isomeric SMILES

CCN(CC)CC1=C(C(=CC(=C1)C(=O)OC(C)O)Br)N

InChI

InChI=1S/C14H21BrN2O3/c1-4-17(5-2)8-11-6-10(7-12(15)13(11)16)14(19)20-9(3)18/h6-7,9,18H,4-5,8,16H2,1-3H3