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

Systemtic Name: 3-chloranylpropyl 4-azanyl-3-bromanyl-5-(diethylaminomethyl)benzoate Openeye Name: 3-chloropropyl 4-amino-3-bromo-5-(diethylaminomethyl)benzoate CAS Name: 4-amino-3-bromo-5-(diethylaminomethyl)benzoic acid 3-chloropropyl ester IUPAC Name: 3-chloropropyl 4-amino-3-bromo-5-(diethylaminomethyl)benzoate Traditional Name: 4-amino-3-bromo-5-(diethylaminomethyl)benzoic acid 3-chloropropyl ester Formula: C15H22BrClN2O2 MolecularWeight: 377.70438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22BrClN2O2/c1-3-19(4-2)10-12-8-11(9-13(16)14(12)18)15(20)21-7-5-6-17/h8-9H,3-7,10,18H2,1-2H3