4-oxidanylbutyl 4-azanyl-3-bromanyl-5-(dimethylaminomethyl)benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=C(C(=CC(=C1)C(=O)OCCCCO)Br)N

Isomeric SMILES

CN(C)CC1=C(C(=CC(=C1)C(=O)OCCCCO)Br)N

InChI

InChI=1S/C14H21BrN2O3/c1-17(2)9-11-7-10(8-12(15)13(11)16)14(19)20-6-4-3-5-18/h7-8,18H,3-6,9,16H2,1-2H3