ethyl 4-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methyl]piperazine-1-carboxylate CAS Name: 4-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]piperazine-1-carboxylate Traditional Name: 4-(3-bromo-4-hydroxy-5-methoxy-benzyl)piperazine-1-carboxylic acid ethyl ester Formula: C15H21BrN2O4 MolecularWeight: 373.24224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC2=CC(=C(C(=C2)Br)O)OC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC2=CC(=C(C(=C2)Br)O)OC

InChI

InChI=1S/C15H21BrN2O4/c1-3-22-15(20)18-6-4-17(5-7-18)10-11-8-12(16)14(19)13(9-11)21-2/h8-9,19H,3-7,10H2,1-2H3