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

Systemtic Name: 4-chloranylbutyl 4-azanyl-3-bromanyl-5-(diethylaminomethyl)benzoate Openeye Name: 4-chlorobutyl 4-amino-3-bromo-5-(diethylaminomethyl)benzoate CAS Name: 4-amino-3-bromo-5-(diethylaminomethyl)benzoic acid 4-chlorobutyl ester IUPAC Name: 4-chlorobutyl 4-amino-3-bromo-5-(diethylaminomethyl)benzoate Traditional Name: 4-amino-3-bromo-5-(diethylaminomethyl)benzoic acid 4-chlorobutyl ester Formula: C16H24BrClN2O2 MolecularWeight: 391.73096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24BrClN2O2/c1-3-20(4-2)11-13-9-12(10-14(17)15(13)19)16(21)22-8-6-5-7-18/h9-10H,3-8,11,19H2,1-2H3