4-oxidanylbutyl 4-azanyl-3-bromanyl-5-(pyrrolidin-1-ylmethyl)benzoate

Systemtic Name: 4-oxidanylbutyl 4-azanyl-3-bromanyl-5-(pyrrolidin-1-ylmethyl)benzoate Openeye Name: 4-hydroxybutyl 4-amino-3-bromo-5-(pyrrolidin-1-ylmethyl)benzoate CAS Name: 4-amino-3-bromo-5-(1-pyrrolidinylmethyl)benzoic acid 4-hydroxybutyl ester IUPAC Name: 4-hydroxybutyl 4-amino-3-bromo-5-(pyrrolidin-1-ylmethyl)benzoate Traditional Name: 4-amino-3-bromo-5-(pyrrolidinomethyl)benzoic acid 4-hydroxybutyl ester Formula: C16H23BrN2O3 MolecularWeight: 371.26942

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=C(C(=CC(=C2)C(=O)OCCCCO)Br)N

Isomeric SMILES

C1CCN(C1)CC2=C(C(=CC(=C2)C(=O)OCCCCO)Br)N

InChI

InChI=1S/C16H23BrN2O3/c17-14-10-12(16(21)22-8-4-3-7-20)9-13(15(14)18)11-19-5-1-2-6-19/h9-10,20H,1-8,11,18H2