[2-bromanyl-4-[(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)carbamoyl]-5-oxidanyl-phenyl] 1-methylazetidine-2-carboxylate

Systemtic Name: [2-bromanyl-4-[(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)carbamoyl]-5-oxidanyl-phenyl] 1-methylazetidine-2-carboxylate Openeye Name: [4-[(1-benzyl-2-methoxy-2-oxo-ethyl)carbamoyl]-2-bromo-5-hydroxy-phenyl] 1-methylazetidine-2-carboxylate CAS Name: 1-methyl-2-azetidinecarboxylic acid [2-bromo-5-hydroxy-4-[[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-oxomethyl]phenyl] ester IUPAC Name: [2-bromo-5-hydroxy-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]phenyl] 1-methylazetidine-2-carboxylate Traditional Name: 1-methylazetidine-2-carboxylic acid [4-[(1-benzyl-2-keto-2-methoxy-ethyl)carbamoyl]-2-bromo-5-hydroxy-phenyl] ester Formula: C22H23BrN2O6 MolecularWeight: 491.33182

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC1C(=O)OC2=C(C=C(C(=C2)O)C(=O)NC(CC3=CC=CC=C3)C(=O)OC)Br

Isomeric SMILES

CN1CCC1C(=O)OC2=C(C=C(C(=C2)O)C(=O)NC(CC3=CC=CC=C3)C(=O)OC)Br

InChI

InChI=1S/C22H23BrN2O6/c1-25-9-8-17(25)22(29)31-19-12-18(26)14(11-15(19)23)20(27)24-16(21(28)30-2)10-13-6-4-3-5-7-13/h3-7,11-12,16-17,26H,8-10H2,1-2H3,(H,24,27)