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5-chloranylpentyl 4-azanyl-3-bromanyl-5-(diethylaminomethyl)benzoate

5-chloranylpentyl 4-azanyl-3-bromanyl-5-(diethylaminomethyl)benzoate

Systemtic Name:5-chloranylpentyl 4-azanyl-3-bromanyl-5-(diethylaminomethyl)benzoate
Openeye Name:5-chloropentyl 4-amino-3-bromo-5-(diethylaminomethyl)benzoate
CAS Name:4-amino-3-bromo-5-(diethylaminomethyl)benzoic acid 5-chloropentyl ester
IUPAC Name:5-chloropentyl 4-amino-3-bromo-5-(diethylaminomethyl)benzoate
Traditional Name:4-amino-3-bromo-5-(diethylaminomethyl)benzoic acid 5-chloropentyl ester
Formula: C17H26BrClN2O2
MolecularWeight: 405.75754
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C17H26BrClN2O2/c1-3-21(4-2)12-14-10-13(11-15(18)16(14)20)17(22)23-9-7-5-6-8-19/h10-11H,3-9,12,20H2,1-2H3


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