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

Systemtic Name: 5-oxidanylpentyl 4-azanyl-3-bromanyl-5-(diethylaminomethyl)benzoate Openeye Name: 5-hydroxypentyl 4-amino-3-bromo-5-(diethylaminomethyl)benzoate CAS Name: 4-amino-3-bromo-5-(diethylaminomethyl)benzoic acid 5-hydroxypentyl ester IUPAC Name: 5-hydroxypentyl 4-amino-3-bromo-5-(diethylaminomethyl)benzoate Traditional Name: 4-amino-3-bromo-5-(diethylaminomethyl)benzoic acid 5-hydroxypentyl ester Formula: C17H27BrN2O3 MolecularWeight: 387.31188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27BrN2O3/c1-3-20(4-2)12-14-10-13(11-15(18)16(14)19)17(22)23-9-7-5-6-8-21/h10-11,21H,3-9,12,19H2,1-2H3