6-oxidanylhexyl 4-azanyl-3-bromanyl-5-(diethylaminomethyl)benzoate

Systemtic Name: 6-oxidanylhexyl 4-azanyl-3-bromanyl-5-(diethylaminomethyl)benzoate Openeye Name: 6-hydroxyhexyl 4-amino-3-bromo-5-(diethylaminomethyl)benzoate CAS Name: 4-amino-3-bromo-5-(diethylaminomethyl)benzoic acid 6-hydroxyhexyl ester IUPAC Name: 6-hydroxyhexyl 4-amino-3-bromo-5-(diethylaminomethyl)benzoate Traditional Name: 4-amino-3-bromo-5-(diethylaminomethyl)benzoic acid 6-hydroxyhexyl ester Formula: C18H29BrN2O3 MolecularWeight: 401.33846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29BrN2O3/c1-3-21(4-2)13-15-11-14(12-16(19)17(15)20)18(23)24-10-8-6-5-7-9-22/h11-12,22H,3-10,13,20H2,1-2H3