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

Systemtic Name: 4-chloranylbutyl 4-azanyl-3-bromanyl-5-(dimethylaminomethyl)benzoate Openeye Name: 4-chlorobutyl 4-amino-3-bromo-5-(dimethylaminomethyl)benzoate CAS Name: 4-amino-3-bromo-5-(dimethylaminomethyl)benzoic acid 4-chlorobutyl ester IUPAC Name: 4-chlorobutyl 4-amino-3-bromo-5-(dimethylaminomethyl)benzoate Traditional Name: 4-amino-3-bromo-5-(dimethylaminomethyl)benzoic acid 4-chlorobutyl ester Formula: C14H20BrClN2O2 MolecularWeight: 363.6778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20BrClN2O2/c1-18(2)9-11-7-10(8-12(15)13(11)17)14(19)20-6-4-3-5-16/h7-8H,3-6,9,17H2,1-2H3