propan-2-yl 2-[(2-bromanyl-4-methoxy-3-methyl-5-oxidanyl-phenyl)methyl]-4-methyl-6-oxidanyl-3-oxidanylidene-piperazine-1-carboxylate

Systemtic Name: propan-2-yl 2-[(2-bromanyl-4-methoxy-3-methyl-5-oxidanyl-phenyl)methyl]-4-methyl-6-oxidanyl-3-oxidanylidene-piperazine-1-carboxylate Openeye Name: isopropyl 2-[(2-bromo-5-hydroxy-4-methoxy-3-methyl-phenyl)methyl]-6-hydroxy-4-methyl-3-oxo-piperazine-1-carboxylate CAS Name: 2-[(2-bromo-5-hydroxy-4-methoxy-3-methylphenyl)methyl]-6-hydroxy-4-methyl-3-oxo-1-piperazinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(2-bromo-5-hydroxy-4-methoxy-3-methylphenyl)methyl]-6-hydroxy-4-methyl-3-oxopiperazine-1-carboxylate Traditional Name: 2-(2-bromo-5-hydroxy-4-methoxy-3-methyl-benzyl)-6-hydroxy-3-keto-4-methyl-piperazine-1-carboxylic acid isopropyl ester Formula: C18H25BrN2O6 MolecularWeight: 445.3049

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1OC)O)CC2C(=O)N(CC(N2C(=O)OC(C)C)O)C)Br

Isomeric SMILES

CC1=C(C(=CC(=C1OC)O)CC2C(=O)N(CC(N2C(=O)OC(C)C)O)C)Br

InChI

InChI=1S/C18H25BrN2O6/c1-9(2)27-18(25)21-12(17(24)20(4)8-14(21)23)6-11-7-13(22)16(26-5)10(3)15(11)19/h7,9,12,14,22-23H,6,8H2,1-5H3