4-oxidanylbutyl 4-azanyl-3-bromanyl-5-[(tert-butylamino)methyl]benzoate

Systemtic Name: 4-oxidanylbutyl 4-azanyl-3-bromanyl-5-[(tert-butylamino)methyl]benzoate Openeye Name: 4-hydroxybutyl 4-amino-3-bromo-5-[(tert-butylamino)methyl]benzoate CAS Name: 4-amino-3-bromo-5-[(tert-butylamino)methyl]benzoic acid 4-hydroxybutyl ester IUPAC Name: 4-hydroxybutyl 4-amino-3-bromo-5-[(tert-butylamino)methyl]benzoate Traditional Name: 4-amino-3-bromo-5-[(tert-butylamino)methyl]benzoic acid 4-hydroxybutyl ester Formula: C16H25BrN2O3 MolecularWeight: 373.2853

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC1=C(C(=CC(=C1)C(=O)OCCCCO)Br)N

Isomeric SMILES

CC(C)(C)NCC1=C(C(=CC(=C1)C(=O)OCCCCO)Br)N

InChI

InChI=1S/C16H25BrN2O3/c1-16(2,3)19-10-12-8-11(9-13(17)14(12)18)15(21)22-7-5-4-6-20/h8-9,19-20H,4-7,10,18H2,1-3H3